Organic acids and derivatives























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3-Pyridinesulfonic acid, 98%
CAS: 636-73-7 Molecular Formula: C5H4NO3S Molecular Weight (g/mol): 158.15 MDL Number: MFCD00006381 InChI Key: DVECLMOWYVDJRM-UHFFFAOYSA-M Synonym: 3-pyridinesulfonic acid,pyridine-3-sulphonic acid,3-pyridylsulfonic acid,3-pyridine sulfonic acid,3-sulfopyridine,beta-sulfopyridine,3-pyridinesulfonicacid,pubchem9608,pyridin-3-sulfonic acid,acmc-209nh7 PubChem CID: 69468 IUPAC Name: pyridine-3-sulfonic acid SMILES: [O-]S(=O)(=O)C1=CC=CN=C1

PubChem CID | 69468 |
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CAS | 636-73-7 |
Molecular Weight (g/mol) | 158.15 |
MDL Number | MFCD00006381 |
SMILES | [O-]S(=O)(=O)C1=CC=CN=C1 |
Synonym | 3-pyridinesulfonic acid,pyridine-3-sulphonic acid,3-pyridylsulfonic acid,3-pyridine sulfonic acid,3-sulfopyridine,beta-sulfopyridine,3-pyridinesulfonicacid,pubchem9608,pyridin-3-sulfonic acid,acmc-209nh7 |
IUPAC Name | pyridine-3-sulfonic acid |
InChI Key | DVECLMOWYVDJRM-UHFFFAOYSA-M |
Molecular Formula | C5H4NO3S |
2,4,5,6-Tetraaminopyrimidine sulfate hydrate, 98%
CAS: 5392-28-9 Molecular Formula: C4H10N6O4S Molecular Weight (g/mol): 238.22 MDL Number: MFCD06408008 InChI Key: MQEFDQWUCTUJCP-UHFFFAOYSA-N Synonym: 2,4,5,6-tetraaminopyrimidine sulfate,pyrimidinetetramine sulfate,pyrimidine-2,4,5,6-tetraamine sulfate,pyrimidine-2,4,5,6-tetramine; sulfuric acid,tetraaminopyrimidine sulfate,pyrimidinetetramine, sulfate 1:1,pyrimidinetetramine, sulfate,tetraaminopyrimidine sulphate,unii-53qqy0i99m,tetra-aminopyrimidine sulfate PubChem CID: 79358 SMILES: OS(O)(=O)=O.NC1=NC(N)=C(N)C(N)=N1

PubChem CID | 79358 |
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CAS | 5392-28-9 |
Molecular Weight (g/mol) | 238.22 |
MDL Number | MFCD06408008 |
SMILES | OS(O)(=O)=O.NC1=NC(N)=C(N)C(N)=N1 |
Synonym | 2,4,5,6-tetraaminopyrimidine sulfate,pyrimidinetetramine sulfate,pyrimidine-2,4,5,6-tetraamine sulfate,pyrimidine-2,4,5,6-tetramine; sulfuric acid,tetraaminopyrimidine sulfate,pyrimidinetetramine, sulfate 1:1,pyrimidinetetramine, sulfate,tetraaminopyrimidine sulphate,unii-53qqy0i99m,tetra-aminopyrimidine sulfate |
InChI Key | MQEFDQWUCTUJCP-UHFFFAOYSA-N |
Molecular Formula | C4H10N6O4S |
Triethyl methanetricarboxylate, 98%
CAS: 6279-86-3 Molecular Formula: C10H16O6 Molecular Weight (g/mol): 232.23 InChI Key: AGZPNUZBDCYTBB-UHFFFAOYSA-N Synonym: tricarbethoxymethane,triethylmethanetricarboxylate,methanetricarboxylic acid, triethyl ester,2-ethoxycarbonyl-malonic acid diethyl ester,methanetricarboxylic acid triethyl ester,carboxymalonic acid triethyl ester,diethyl 2-ethoxycarbonyl malonate,diethyl 2-ethoxycarbonyl propane-1,3-dioate,pubchem3106,triethoxycarbonylmethane PubChem CID: 80471 IUPAC Name: triethyl methanetricarboxylate SMILES: CCOC(=O)C(C(=O)OCC)C(=O)OCC

PubChem CID | 80471 |
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CAS | 6279-86-3 |
Molecular Weight (g/mol) | 232.23 |
SMILES | CCOC(=O)C(C(=O)OCC)C(=O)OCC |
Synonym | tricarbethoxymethane,triethylmethanetricarboxylate,methanetricarboxylic acid, triethyl ester,2-ethoxycarbonyl-malonic acid diethyl ester,methanetricarboxylic acid triethyl ester,carboxymalonic acid triethyl ester,diethyl 2-ethoxycarbonyl malonate,diethyl 2-ethoxycarbonyl propane-1,3-dioate,pubchem3106,triethoxycarbonylmethane |
IUPAC Name | triethyl methanetricarboxylate |
InChI Key | AGZPNUZBDCYTBB-UHFFFAOYSA-N |
Molecular Formula | C10H16O6 |
cis-1,2,3,6-Tetrahydrophthalimide, 96%, Thermo Scientific™
CAS: 1469-48-3 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.16 MDL Number: MFCD00005880 InChI Key: CIFFBTOJCKSRJY-OLQVQODUSA-N Synonym: cis-1,2,3,6-tetrahydrophthalimide,cis-3a,4,7,7a-tetrahydro-1h-isoindole-1,3 2h-dione,cis-4-cyclohexene-1,2-dicarboximide,cis-tetrahydrophthalimide,unii-es57d28o1u,4-cyclohexene-1,2-dicarboximide, cis,cis-.delta.4-tetrahydrophthalimide,1h-isoindole-1,3 2h-dione, 3a,4,7,7a-tetrahydro-, cis,1h-isoindole-1,3 2h-dione, 3a,4,7,7a-tetrahydro-, 3ar,7as-rel,3ar,7as-3a,4,7,7a-tetrahydroisoindole-1,3-dione PubChem CID: 92888 IUPAC Name: (3aR,7aS)-3a,4,7,7a-tetrahydroisoindole-1,3-dione SMILES: C1C=CCC2C1C(=O)NC2=O

PubChem CID | 92888 |
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CAS | 1469-48-3 |
Molecular Weight (g/mol) | 151.16 |
MDL Number | MFCD00005880 |
SMILES | C1C=CCC2C1C(=O)NC2=O |
Synonym | cis-1,2,3,6-tetrahydrophthalimide,cis-3a,4,7,7a-tetrahydro-1h-isoindole-1,3 2h-dione,cis-4-cyclohexene-1,2-dicarboximide,cis-tetrahydrophthalimide,unii-es57d28o1u,4-cyclohexene-1,2-dicarboximide, cis,cis-.delta.4-tetrahydrophthalimide,1h-isoindole-1,3 2h-dione, 3a,4,7,7a-tetrahydro-, cis,1h-isoindole-1,3 2h-dione, 3a,4,7,7a-tetrahydro-, 3ar,7as-rel,3ar,7as-3a,4,7,7a-tetrahydroisoindole-1,3-dione |
IUPAC Name | (3aR,7aS)-3a,4,7,7a-tetrahydroisoindole-1,3-dione |
InChI Key | CIFFBTOJCKSRJY-OLQVQODUSA-N |
Molecular Formula | C8H9NO2 |
Edetate Disodium, U.S.P., J.T. Baker™
CAS: 6381-92-6 Molecular Formula: C10H18N2Na2O10 Molecular Weight (g/mol): 372.24 MDL Number: MFCD00150037,MFCD00003541 InChI Key: OVBJJZOQPCKUOR-UHFFFAOYSA-L Synonym: edta disodium salt,cal-ex decalcifier,buffer solution, ph 10.00,sodium di ethylenediamine tetraacetate dihydrate,ethylenediamine tetraacetic acid, disodium salt dihydrate,ethylenediamine tetraacetic acid, disodium salt, standard solution,sodium di ethylenediamine tetraacetate standard solution,ethylenedinitrilo tetraacetic acid disodium, dihydrate, reagent, acs PubChem CID: 44120005 IUPAC Name: disodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;dihydrate SMILES: O.O.[Na+].[Na+].OC(=O)CN(CCN(CC(O)=O)CC([O-])=O)CC([O-])=O

PubChem CID | 44120005 |
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CAS | 6381-92-6 |
Molecular Weight (g/mol) | 372.24 |
MDL Number | MFCD00150037,MFCD00003541 |
SMILES | O.O.[Na+].[Na+].OC(=O)CN(CCN(CC(O)=O)CC([O-])=O)CC([O-])=O |
Synonym | edta disodium salt,cal-ex decalcifier,buffer solution, ph 10.00,sodium di ethylenediamine tetraacetate dihydrate,ethylenediamine tetraacetic acid, disodium salt dihydrate,ethylenediamine tetraacetic acid, disodium salt, standard solution,sodium di ethylenediamine tetraacetate standard solution,ethylenedinitrilo tetraacetic acid disodium, dihydrate, reagent, acs |
IUPAC Name | disodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;dihydrate |
InChI Key | OVBJJZOQPCKUOR-UHFFFAOYSA-L |
Molecular Formula | C10H18N2Na2O10 |
Ethyl caprate, 99+%
CAS: 110-38-3 Molecular Formula: C12H24O2 Molecular Weight (g/mol): 200.32 MDL Number: MFCD00009581 InChI Key: RGXWDWUGBIJHDO-UHFFFAOYSA-N Synonym: ethyl caprate,ethyl caprinate,ethyl decylate,decanoic acid ethyl ester,decanoic acid, ethyl ester,capric acid ethyl ester,ethyl n-decanoate,capric acid, ethyl ester,natural,unii-gy39fb86uo PubChem CID: 8048 ChEBI: CHEBI:87430 IUPAC Name: ethyl decanoate SMILES: CCCCCCCCCC(=O)OCC

PubChem CID | 8048 |
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CAS | 110-38-3 |
Molecular Weight (g/mol) | 200.32 |
ChEBI | CHEBI:87430 |
MDL Number | MFCD00009581 |
SMILES | CCCCCCCCCC(=O)OCC |
Synonym | ethyl caprate,ethyl caprinate,ethyl decylate,decanoic acid ethyl ester,decanoic acid, ethyl ester,capric acid ethyl ester,ethyl n-decanoate,capric acid, ethyl ester,natural,unii-gy39fb86uo |
IUPAC Name | ethyl decanoate |
InChI Key | RGXWDWUGBIJHDO-UHFFFAOYSA-N |
Molecular Formula | C12H24O2 |
Ethyl caproate, 99+%
CAS: 123-66-0 Molecular Formula: C8H16O2 Molecular Weight (g/mol): 144.21 MDL Number: MFCD00009511 InChI Key: SHZIWNPUGXLXDT-UHFFFAOYSA-N Synonym: ethyl caproate,ethyl hexoate,hexanoic acid, ethyl ester,hexanoic acid ethyl ester,capronic ether absolute,caproic acid ethyl ester,ethyl n-hexanoate,ethyl butyl acetate,caproate,acetic acid, butyl-, ethyl ester PubChem CID: 31265 ChEBI: CHEBI:86055 IUPAC Name: ethyl hexanoate SMILES: CCCCCC(=O)OCC

PubChem CID | 31265 |
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CAS | 123-66-0 |
Molecular Weight (g/mol) | 144.21 |
ChEBI | CHEBI:86055 |
MDL Number | MFCD00009511 |
SMILES | CCCCCC(=O)OCC |
Synonym | ethyl caproate,ethyl hexoate,hexanoic acid, ethyl ester,hexanoic acid ethyl ester,capronic ether absolute,caproic acid ethyl ester,ethyl n-hexanoate,ethyl butyl acetate,caproate,acetic acid, butyl-, ethyl ester |
IUPAC Name | ethyl hexanoate |
InChI Key | SHZIWNPUGXLXDT-UHFFFAOYSA-N |
Molecular Formula | C8H16O2 |
Bis(4-nitrophenyl) carbonate, 97%
CAS: 5070-13-3 Molecular Formula: C13H8N2O7 Molecular Weight (g/mol): 304.21 MDL Number: MFCD00007322 InChI Key: ACBQROXDOHKANW-UHFFFAOYSA-N Synonym: bis 4-nitrophenyl carbonate,bis p-nitrophenyl carbonate,4,4'-dinitrodiphenyl carbonate,carbonic acid, bis 4-nitrophenyl ester,p,p'-dinitrodiphenylcarbonate,carbonic acid bis 4-nitrophenyl ester,carbonic acid, bis p-nitrophenyl ester,npc bis 4-nitrophenyl carbonate PubChem CID: 78756 IUPAC Name: bis(4-nitrophenyl) carbonate SMILES: C1=CC(=CC=C1[N+](=O)[O-])OC(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

PubChem CID | 78756 |
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CAS | 5070-13-3 |
Molecular Weight (g/mol) | 304.21 |
MDL Number | MFCD00007322 |
SMILES | C1=CC(=CC=C1[N+](=O)[O-])OC(=O)OC2=CC=C(C=C2)[N+](=O)[O-] |
Synonym | bis 4-nitrophenyl carbonate,bis p-nitrophenyl carbonate,4,4'-dinitrodiphenyl carbonate,carbonic acid, bis 4-nitrophenyl ester,p,p'-dinitrodiphenylcarbonate,carbonic acid bis 4-nitrophenyl ester,carbonic acid, bis p-nitrophenyl ester,npc bis 4-nitrophenyl carbonate |
IUPAC Name | bis(4-nitrophenyl) carbonate |
InChI Key | ACBQROXDOHKANW-UHFFFAOYSA-N |
Molecular Formula | C13H8N2O7 |
Thermo Scientific Chemicals beta-D-Ribofuranose 1,2,3,5-tetraacetate, 98+%
CAS: 13035-61-5 Molecular Formula: C13H18O9 Molecular Weight (g/mol): 318.27 MDL Number: MFCD00005358 InChI Key: IHNHAHWGVLXCCI-FDYHWXHSSA-N Synonym: beta-d-ribofuranose 1,2,3,5-tetraacetate,tetra-o-acetyl-beta-d-ribofuranose,1,2,3,5-tetra-o-acetyl-beta-d-ribofuranose,tetraacetylribose,1,2,3,5-tetraacetyl-.-d-ribofuranose,tetra-o-acetyl-b-d-ribofuranose,1,2,3,5-tetraacetyl-beta-d-ribofuranose,1,2,3,5-tetra-o-acetyl-b-d-ribofuranose,.beta.-d-ribofuranose, tetraacetate,ribofuranose, tetraacetate, .beta.-d PubChem CID: 83064 IUPAC Name: [(2R,3R,4R,5S)-3,4,5-triacetyloxyoxolan-2-yl]methyl acetate SMILES: CC(=O)OCC1C(C(C(O1)OC(=O)C)OC(=O)C)OC(=O)C

PubChem CID | 83064 |
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CAS | 13035-61-5 |
Molecular Weight (g/mol) | 318.27 |
MDL Number | MFCD00005358 |
SMILES | CC(=O)OCC1C(C(C(O1)OC(=O)C)OC(=O)C)OC(=O)C |
Synonym | beta-d-ribofuranose 1,2,3,5-tetraacetate,tetra-o-acetyl-beta-d-ribofuranose,1,2,3,5-tetra-o-acetyl-beta-d-ribofuranose,tetraacetylribose,1,2,3,5-tetraacetyl-.-d-ribofuranose,tetra-o-acetyl-b-d-ribofuranose,1,2,3,5-tetraacetyl-beta-d-ribofuranose,1,2,3,5-tetra-o-acetyl-b-d-ribofuranose,.beta.-d-ribofuranose, tetraacetate,ribofuranose, tetraacetate, .beta.-d |
IUPAC Name | [(2R,3R,4R,5S)-3,4,5-triacetyloxyoxolan-2-yl]methyl acetate |
InChI Key | IHNHAHWGVLXCCI-FDYHWXHSSA-N |
Molecular Formula | C13H18O9 |
trans-Methyl crotonate, 96%
CAS: 623-43-8 Molecular Formula: C5H8O2 Molecular Weight (g/mol): 100.12 MDL Number: MFCD00009287 InChI Key: MCVVUJPXSBQTRZ-ONEGZZNKSA-N Synonym: methyl crotonate,e-methyl but-2-enoate,trans-methyl crotonate,methyl e-crotonate,methyl 2-butenoate,methyl trans-crotonate,2-butenoic acid, methyl ester, 2e,trans-2-butenoic acid methyl ester,methyl trans-2-butenoate,e-crotonic acid methyl ester PubChem CID: 638132 SMILES: COC(=O)\C=C\C

PubChem CID | 638132 |
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CAS | 623-43-8 |
Molecular Weight (g/mol) | 100.12 |
MDL Number | MFCD00009287 |
SMILES | COC(=O)\C=C\C |
Synonym | methyl crotonate,e-methyl but-2-enoate,trans-methyl crotonate,methyl e-crotonate,methyl 2-butenoate,methyl trans-crotonate,2-butenoic acid, methyl ester, 2e,trans-2-butenoic acid methyl ester,methyl trans-2-butenoate,e-crotonic acid methyl ester |
InChI Key | MCVVUJPXSBQTRZ-ONEGZZNKSA-N |
Molecular Formula | C5H8O2 |
trans-1,2-Diaminocyclohexane-N,N,N',N'-tetraacetic Acid Monohydrate, 98%
CAS: 125572-95-4 Molecular Formula: C14H20N2O8 Molecular Weight (g/mol): 344.32 MDL Number: MFCD00149243,MFCD00066429,MFCD00003845 InChI Key: FCKYPQBAHLOOJQ-NXEZZACHSA-L Synonym: 2,2',2,2'-trans-cyclohexane-1,2-diylbis azanetriyl tetraacetic acid hydrate,dcyta,trans-1,2-diaminocyclohexane-n,n,n',n'-tetraacetic acid monohydrate,1,2-cyclohexanedinitrilotetraacetic acid,2,2',2,2'-1r,2r-rel-cyclohexane-1,2-diylbis azanetriyl tetraacetic acid hydrate,trans-1,2-cyclohexanediaminetetraacetic acid monohydrate,cdta monohydrate,ctda monohydrate,chel-cd,chel r-cd PubChem CID: 2723844 SMILES: [O-]C(=O)C[NH+](CC([O-])=O)[C@@H]1CCCC[C@H]1[NH+](CC([O-])=O)CC([O-])=O

PubChem CID | 2723844 |
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CAS | 125572-95-4 |
Molecular Weight (g/mol) | 344.32 |
MDL Number | MFCD00149243,MFCD00066429,MFCD00003845 |
SMILES | [O-]C(=O)C[NH+](CC([O-])=O)[C@@H]1CCCC[C@H]1[NH+](CC([O-])=O)CC([O-])=O |
Synonym | 2,2',2,2'-trans-cyclohexane-1,2-diylbis azanetriyl tetraacetic acid hydrate,dcyta,trans-1,2-diaminocyclohexane-n,n,n',n'-tetraacetic acid monohydrate,1,2-cyclohexanedinitrilotetraacetic acid,2,2',2,2'-1r,2r-rel-cyclohexane-1,2-diylbis azanetriyl tetraacetic acid hydrate,trans-1,2-cyclohexanediaminetetraacetic acid monohydrate,cdta monohydrate,ctda monohydrate,chel-cd,chel r-cd |
InChI Key | FCKYPQBAHLOOJQ-NXEZZACHSA-L |
Molecular Formula | C14H20N2O8 |
N,N-Dimethylformamide, 99.8%, for spectroscopy
CAS: 68-12-2 Molecular Formula: C3H7NO Molecular Weight (g/mol): 73.10 MDL Number: MFCD00003284 InChI Key: ZMXDDKWLCZADIW-UHFFFAOYSA-N Synonym: dimethylformamide,dimethyl formamide,n,n-dimethylmethanamide,n-formyldimethylamine,formamide, n,n-dimethyl,dmf,dimethylformamid,dimetilformamide,dwumetyloformamid,dmfa PubChem CID: 6228 ChEBI: CHEBI:17741 IUPAC Name: N,N-dimethylformamide SMILES: CN(C)C=O

PubChem CID | 6228 |
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CAS | 68-12-2 |
Molecular Weight (g/mol) | 73.10 |
ChEBI | CHEBI:17741 |
MDL Number | MFCD00003284 |
SMILES | CN(C)C=O |
Synonym | dimethylformamide,dimethyl formamide,n,n-dimethylmethanamide,n-formyldimethylamine,formamide, n,n-dimethyl,dmf,dimethylformamid,dimetilformamide,dwumetyloformamid,dmfa |
IUPAC Name | N,N-dimethylformamide |
InChI Key | ZMXDDKWLCZADIW-UHFFFAOYSA-N |
Molecular Formula | C3H7NO |
m-Tolylacetic acid, 97%
CAS: 621-36-3 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.18 MDL Number: MFCD00004340 InChI Key: GJMPSRSMBJLKKB-UHFFFAOYSA-N Synonym: 3-methylphenylacetic acid,m-tolylacetic acid,2-m-tolyl acetic acid,2-3-methylphenyl acetic acid,3-tolylacetic acid,m-methylphenylacetic acid,3-methylphenyl acetic acid,m-tolylaceticacid,benzeneacetic acid, 3-methyl,methyll 3-methylphenylacetate PubChem CID: 12121 IUPAC Name: 2-(3-methylphenyl)acetic acid SMILES: CC1=CC=CC(CC(O)=O)=C1

PubChem CID | 12121 |
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CAS | 621-36-3 |
Molecular Weight (g/mol) | 150.18 |
MDL Number | MFCD00004340 |
SMILES | CC1=CC=CC(CC(O)=O)=C1 |
Synonym | 3-methylphenylacetic acid,m-tolylacetic acid,2-m-tolyl acetic acid,2-3-methylphenyl acetic acid,3-tolylacetic acid,m-methylphenylacetic acid,3-methylphenyl acetic acid,m-tolylaceticacid,benzeneacetic acid, 3-methyl,methyll 3-methylphenylacetate |
IUPAC Name | 2-(3-methylphenyl)acetic acid |
InChI Key | GJMPSRSMBJLKKB-UHFFFAOYSA-N |
Molecular Formula | C9H10O2 |
Vinylene carbonate, 98%, stabilized
CAS: 872-36-6 Molecular Formula: C3H2O3 Molecular Weight (g/mol): 86.05 MDL Number: MFCD00005380 InChI Key: VAYTZRYEBVHVLE-UHFFFAOYSA-N Synonym: vinylene carbonate,vinyl carbonate,carbonic acid, cyclic vinylene ester,wln: t5ovoj,vinylenecarbonate,vinyleny carbonate,carbonic acid vinylene,1,3-dioxo-2-one,vinylene carbonate vc,acmc-209qj3 PubChem CID: 13385 SMILES: O=C1OC=CO1

PubChem CID | 13385 |
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CAS | 872-36-6 |
Molecular Weight (g/mol) | 86.05 |
MDL Number | MFCD00005380 |
SMILES | O=C1OC=CO1 |
Synonym | vinylene carbonate,vinyl carbonate,carbonic acid, cyclic vinylene ester,wln: t5ovoj,vinylenecarbonate,vinyleny carbonate,carbonic acid vinylene,1,3-dioxo-2-one,vinylene carbonate vc,acmc-209qj3 |
InChI Key | VAYTZRYEBVHVLE-UHFFFAOYSA-N |
Molecular Formula | C3H2O3 |
2-Chloroacetamide, 98%
CAS: 79-07-2 Molecular Formula: C2H4ClNO Molecular Weight (g/mol): 93.51 MDL Number: MFCD00008027 InChI Key: VXIVSQZSERGHQP-UHFFFAOYSA-N Synonym: chloroacetamide,acetamide, 2-chloro,chloracetamide,2-chloroethanamide,microcide,mergal af,chloracetamid,usaf do-29,2-chloracetamide,2-chloro-acetamide PubChem CID: 6580 IUPAC Name: 2-chloroacetamide SMILES: NC(=O)CCl

PubChem CID | 6580 |
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CAS | 79-07-2 |
Molecular Weight (g/mol) | 93.51 |
MDL Number | MFCD00008027 |
SMILES | NC(=O)CCl |
Synonym | chloroacetamide,acetamide, 2-chloro,chloracetamide,2-chloroethanamide,microcide,mergal af,chloracetamid,usaf do-29,2-chloracetamide,2-chloro-acetamide |
IUPAC Name | 2-chloroacetamide |
InChI Key | VXIVSQZSERGHQP-UHFFFAOYSA-N |
Molecular Formula | C2H4ClNO |