
Carboxylic acids and derivatives















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Thermo Scientific Chemicals Ethylenediaminetetraacetic Acid, 0.5M aq. soln., pH 8.0, autoclaved
CAS: 60-00-4 Molecular Formula: C10H16N2O8 Molecular Weight (g/mol): 292.24 MDL Number: MFCD00003541 InChI Key: KCXVZYZYPLLWCC-UHFFFAOYSA-N Synonym: edta,edetic acid,ethylenediaminetetraacetic acid,edathamil,versene,endrate,havidote,titriplex,edta acid,sequestrol PubChem CID: 6049 ChEBI: CHEBI:42191 IUPAC Name: 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid SMILES: OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O
PubChem CID | 6049 |
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CAS | 60-00-4 |
Molecular Weight (g/mol) | 292.24 |
ChEBI | CHEBI:42191 |
MDL Number | MFCD00003541 |
SMILES | OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O |
Synonym | edta,edetic acid,ethylenediaminetetraacetic acid,edathamil,versene,endrate,havidote,titriplex,edta acid,sequestrol |
IUPAC Name | 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid |
InChI Key | KCXVZYZYPLLWCC-UHFFFAOYSA-N |
Molecular Formula | C10H16N2O8 |
4'-Chloroacetanilide, 98+%
CAS: 539-03-7 Molecular Formula: C8H8ClNO Molecular Weight (g/mol): 169.608 MDL Number: MFCD00000612 InChI Key: GGUOCFNAWIODMF-UHFFFAOYSA-N Synonym: 4'-chloroacetanilide,n-4-chlorophenyl acetamide,4-chloroacetanilide,p-chloroacetanilide,n-acetyl-p-chloroaniline,acetamide, n-4-chlorophenyl,acetanilide, 4'-chloro,acetic-4-chloroanilide,n-p-chlorophenyl acetamide,n-4-chloro-phenyl-acetamide PubChem CID: 10871 ChEBI: CHEBI:116915 IUPAC Name: N-(4-chlorophenyl)acetamide SMILES: CC(=O)NC1=CC=C(C=C1)Cl
PubChem CID | 10871 |
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CAS | 539-03-7 |
Molecular Weight (g/mol) | 169.608 |
ChEBI | CHEBI:116915 |
MDL Number | MFCD00000612 |
SMILES | CC(=O)NC1=CC=C(C=C1)Cl |
Synonym | 4'-chloroacetanilide,n-4-chlorophenyl acetamide,4-chloroacetanilide,p-chloroacetanilide,n-acetyl-p-chloroaniline,acetamide, n-4-chlorophenyl,acetanilide, 4'-chloro,acetic-4-chloroanilide,n-p-chlorophenyl acetamide,n-4-chloro-phenyl-acetamide |
IUPAC Name | N-(4-chlorophenyl)acetamide |
InChI Key | GGUOCFNAWIODMF-UHFFFAOYSA-N |
Molecular Formula | C8H8ClNO |
CAS | 6282-02-6 |
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MDL Number | MFCD00014415 |
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 |
2-Phenylethyl acetate, 98%
CAS: 103-45-7 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.20 MDL Number: MFCD00008720 InChI Key: MDHYEMXUFSJLGV-UHFFFAOYSA-N Synonym: phenethyl acetate,2-phenethyl acetate,acetic acid, 2-phenylethyl ester,benzylcarbinyl acetate,beta-phenylethyl acetate,acetic acid, phenethyl ester,phenethyl alcohol, acetate,phenylethyl acetate,acetic acid phenethyl ester,ethanol, 2-phenyl-, acetate PubChem CID: 7654 ChEBI: CHEBI:31988 IUPAC Name: 2-phenylethyl acetate SMILES: CC(=O)OCCC1=CC=CC=C1
PubChem CID | 7654 |
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CAS | 103-45-7 |
Molecular Weight (g/mol) | 164.20 |
ChEBI | CHEBI:31988 |
MDL Number | MFCD00008720 |
SMILES | CC(=O)OCCC1=CC=CC=C1 |
Synonym | phenethyl acetate,2-phenethyl acetate,acetic acid, 2-phenylethyl ester,benzylcarbinyl acetate,beta-phenylethyl acetate,acetic acid, phenethyl ester,phenethyl alcohol, acetate,phenylethyl acetate,acetic acid phenethyl ester,ethanol, 2-phenyl-, acetate |
IUPAC Name | 2-phenylethyl acetate |
InChI Key | MDHYEMXUFSJLGV-UHFFFAOYSA-N |
Molecular Formula | C10H12O2 |
Propionic acid, 99%
CAS: 79-09-4 Molecular Formula: C3H6O2 Molecular Weight (g/mol): 74.079 MDL Number: MFCD00002756 InChI Key: XBDQKXXYIPTUBI-UHFFFAOYSA-N Synonym: propionic acid,ethylformic acid,methylacetic acid,carboxyethane,ethanecarboxylic acid,pseudoacetic acid,metacetonic acid,monoprop,luprosil,prozoin PubChem CID: 1032 ChEBI: CHEBI:30768 IUPAC Name: propanoic acid SMILES: CCC(=O)O
PubChem CID | 1032 |
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CAS | 79-09-4 |
Molecular Weight (g/mol) | 74.079 |
ChEBI | CHEBI:30768 |
MDL Number | MFCD00002756 |
SMILES | CCC(=O)O |
Synonym | propionic acid,ethylformic acid,methylacetic acid,carboxyethane,ethanecarboxylic acid,pseudoacetic acid,metacetonic acid,monoprop,luprosil,prozoin |
IUPAC Name | propanoic acid |
InChI Key | XBDQKXXYIPTUBI-UHFFFAOYSA-N |
Molecular Formula | C3H6O2 |
Methyl formate, 97%, pure
CAS: 107-31-3 Molecular Formula: C2H4O2 Molecular Weight (g/mol): 60.05 MDL Number: MFCD00003291 InChI Key: TZIHFWKZFHZASV-UHFFFAOYSA-N Synonym: formic acid, methyl ester,methyl methanoate,methylformiat,formic acid methyl ester,formiate de methyle,methylformiaat,mravencan methylnaty,methylformate,caswell no. 570,hcooch3 PubChem CID: 7865 ChEBI: CHEBI:77699 IUPAC Name: methyl formate SMILES: COC=O
PubChem CID | 7865 |
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CAS | 107-31-3 |
Molecular Weight (g/mol) | 60.05 |
ChEBI | CHEBI:77699 |
MDL Number | MFCD00003291 |
SMILES | COC=O |
Synonym | formic acid, methyl ester,methyl methanoate,methylformiat,formic acid methyl ester,formiate de methyle,methylformiaat,mravencan methylnaty,methylformate,caswell no. 570,hcooch3 |
IUPAC Name | methyl formate |
InChI Key | TZIHFWKZFHZASV-UHFFFAOYSA-N |
Molecular Formula | C2H4O2 |
N-Isopropylacrylamide, 97%
CAS: 2210-25-5 Molecular Formula: C6H11NO Molecular Weight (g/mol): 113.16 MDL Number: MFCD00041913 InChI Key: QNILTEGFHQSKFF-UHFFFAOYSA-N Synonym: n-isopropylacrylamide,nipam,n-iso-propylacrylamide,2-propenamide, n-1-methylethyl,isopropyl acrylamide,acrylamide, n-isopropyl,n-isopropyl acrylamide,n-1-methylethyl-2-propenamide,isopropylamid kyseliny akrylove,unii-b7gff17l9u PubChem CID: 16637 SMILES: CC(C)NC(=O)C=C
PubChem CID | 16637 |
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CAS | 2210-25-5 |
Molecular Weight (g/mol) | 113.16 |
MDL Number | MFCD00041913 |
SMILES | CC(C)NC(=O)C=C |
Synonym | n-isopropylacrylamide,nipam,n-iso-propylacrylamide,2-propenamide, n-1-methylethyl,isopropyl acrylamide,acrylamide, n-isopropyl,n-isopropyl acrylamide,n-1-methylethyl-2-propenamide,isopropylamid kyseliny akrylove,unii-b7gff17l9u |
InChI Key | QNILTEGFHQSKFF-UHFFFAOYSA-N |
Molecular Formula | C6H11NO |
Thermo Scientific Chemicals beta-D-Glucose pentaacetate, 98%
CAS: 604-69-3 MDL Number: MFCD00006597 InChI Key: LPTITAGPBXDDGR-IBEHDNSVSA-N Synonym: beta-d-glucose pentaacetate,penta-o-acetyl-beta-d-glucopyranose,unii-v833p95coc,1,2,3,4,6-penta-o-acetyl-beta-d-glucopyranose,1,2,3,4,6-penta-o-acetyl-b-d-glucopyranose,beta-d-glucopyranose pentaacetate,2r,3r,4s,5r,6s-3,4,5,6-tetrakis acetyloxy oxan-2-yl methyl acetate,2s,3r,4s,5r,6r-6-acetoxymethyl tetrahydro-2h-pyran-2,3,4,5-tetrayl tetraacetate,glucopyranose, pentaacetate, .beta.-d,penta-o-acetyl-β PubChem CID: 2724702 IUPAC Name: [(2R,3R,4S,5R,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate SMILES: CC(=O)OCC1C(C(C(C(O1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
PubChem CID | 2724702 |
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CAS | 604-69-3 |
MDL Number | MFCD00006597 |
SMILES | CC(=O)OCC1C(C(C(C(O1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C |
Synonym | beta-d-glucose pentaacetate,penta-o-acetyl-beta-d-glucopyranose,unii-v833p95coc,1,2,3,4,6-penta-o-acetyl-beta-d-glucopyranose,1,2,3,4,6-penta-o-acetyl-b-d-glucopyranose,beta-d-glucopyranose pentaacetate,2r,3r,4s,5r,6s-3,4,5,6-tetrakis acetyloxy oxan-2-yl methyl acetate,2s,3r,4s,5r,6r-6-acetoxymethyl tetrahydro-2h-pyran-2,3,4,5-tetrayl tetraacetate,glucopyranose, pentaacetate, .beta.-d,penta-o-acetyl-β |
IUPAC Name | [(2R,3R,4S,5R,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate |
InChI Key | LPTITAGPBXDDGR-IBEHDNSVSA-N |
Citric acid, triammonium salt, 97+%, pure
CAS: 3458-72-8 Molecular Formula: C6H20N3O7+3 Molecular Weight (g/mol): 246.24 MDL Number: MFCD00036406 InChI Key: YWYZEGXAUVWDED-UHFFFAOYSA-Q Synonym: ammonium citrate PubChem CID: 131675891 IUPAC Name: azane;[3-carboxy-1,3-dihydroxy-4-[oxonio(oxoniumylidene)methyl]butylidene]oxidanium SMILES: C(C(=[OH+])[OH2+])C(CC(=[OH+])O)(C(=O)O)O.N.N.N
PubChem CID | 131675891 |
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CAS | 3458-72-8 |
Molecular Weight (g/mol) | 246.24 |
MDL Number | MFCD00036406 |
SMILES | C(C(=[OH+])[OH2+])C(CC(=[OH+])O)(C(=O)O)O.N.N.N |
Synonym | ammonium citrate |
IUPAC Name | azane;[3-carboxy-1,3-dihydroxy-4-[oxonio(oxoniumylidene)methyl]butylidene]oxidanium |
InChI Key | YWYZEGXAUVWDED-UHFFFAOYSA-Q |
Molecular Formula | C6H20N3O7+3 |
Citric acid, trisodium salt dihydrate, 99%, pure
CAS: 6132-04-3 Molecular Formula: C6H9Na3O9 Molecular Weight (g/mol): 294.1 MDL Number: MFCD00150031 InChI Key: NLJMYIDDQXHKNR-UHFFFAOYSA-K Synonym: trisodium citrate dihydrate,sodium citrate dihydrate,sodium citrate tribasic dihydrate,natriumcitrat-dihydrat,sodium citrate hydrate,1,2,3-propanetricarboxylic acid, 2-hydroxy-, trisodium salt, dihydrate,citronensaeure-tri-na-salz-dihydrat,citric acid trisodium salt dihydrate,citric acid, trisodium salt dihydrate,trisodium 2-hydroxypropane-1,2,3-tricarboxylate dihydrate PubChem CID: 71474 ChEBI: CHEBI:32142 IUPAC Name: trisodium;2-hydroxypropane-1,2,3-tricarboxylate;dihydrate SMILES: C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.O.O.[Na+].[Na+].[Na+]
PubChem CID | 71474 |
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CAS | 6132-04-3 |
Molecular Weight (g/mol) | 294.1 |
ChEBI | CHEBI:32142 |
MDL Number | MFCD00150031 |
SMILES | C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.O.O.[Na+].[Na+].[Na+] |
Synonym | trisodium citrate dihydrate,sodium citrate dihydrate,sodium citrate tribasic dihydrate,natriumcitrat-dihydrat,sodium citrate hydrate,1,2,3-propanetricarboxylic acid, 2-hydroxy-, trisodium salt, dihydrate,citronensaeure-tri-na-salz-dihydrat,citric acid trisodium salt dihydrate,citric acid, trisodium salt dihydrate,trisodium 2-hydroxypropane-1,2,3-tricarboxylate dihydrate |
IUPAC Name | trisodium;2-hydroxypropane-1,2,3-tricarboxylate;dihydrate |
InChI Key | NLJMYIDDQXHKNR-UHFFFAOYSA-K |
Molecular Formula | C6H9Na3O9 |
Cyanoacetamide, 99%
CAS: 107-91-5 Molecular Formula: C3H4N2O Molecular Weight (g/mol): 84.08 MDL Number: MFCD00008024 InChI Key: DGJMPUGMZIKDRO-UHFFFAOYSA-N Synonym: cyanoacetamide,acetamide, 2-cyano,cyanacetamide,malonamide nitrile,malonamonitrile,nitrilomalonamide,cyanoiminoacetic acid,3-nitrilo-propionamide,propionamide, 3-nitrilo,usaf kf-14 PubChem CID: 7898 IUPAC Name: 2-cyanoacetamide SMILES: NC(=O)CC#N
PubChem CID | 7898 |
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CAS | 107-91-5 |
Molecular Weight (g/mol) | 84.08 |
MDL Number | MFCD00008024 |
SMILES | NC(=O)CC#N |
Synonym | cyanoacetamide,acetamide, 2-cyano,cyanacetamide,malonamide nitrile,malonamonitrile,nitrilomalonamide,cyanoiminoacetic acid,3-nitrilo-propionamide,propionamide, 3-nitrilo,usaf kf-14 |
IUPAC Name | 2-cyanoacetamide |
InChI Key | DGJMPUGMZIKDRO-UHFFFAOYSA-N |
Molecular Formula | C3H4N2O |
Ethyl octanoate, 99%
CAS: 106-32-1 Molecular Formula: C10H20O2 Molecular Weight (g/mol): 172.27 MDL Number: MFCD00009552 InChI Key: YYZUSRORWSJGET-UHFFFAOYSA-N Synonym: ethyl caprylate,octanoic acid, ethyl ester,ethyl n-octanoate,caprylic acid ethyl ester,ethyl octoate,ethyl octylate,octanoic acid ethyl ester,natural,unii-81c5mop582,fema no. 2449 PubChem CID: 7799 ChEBI: CHEBI:87426 IUPAC Name: ethyl octanoate SMILES: CCCCCCCC(=O)OCC
PubChem CID | 7799 |
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CAS | 106-32-1 |
Molecular Weight (g/mol) | 172.27 |
ChEBI | CHEBI:87426 |
MDL Number | MFCD00009552 |
SMILES | CCCCCCCC(=O)OCC |
Synonym | ethyl caprylate,octanoic acid, ethyl ester,ethyl n-octanoate,caprylic acid ethyl ester,ethyl octoate,ethyl octylate,octanoic acid ethyl ester,natural,unii-81c5mop582,fema no. 2449 |
IUPAC Name | ethyl octanoate |
InChI Key | YYZUSRORWSJGET-UHFFFAOYSA-N |
Molecular Formula | C10H20O2 |
tert-Butyl carbazate, 98+%
CAS: 870-46-2 Molecular Formula: C5H12N2O2 Molecular Weight (g/mol): 132.163 MDL Number: MFCD00007593 InChI Key: DKACXUFSLUYRFU-UHFFFAOYSA-N Synonym: tert-butyl carbazate,tert-butyl hydrazinecarboxylate,t-butyl carbazate,hydrazinecarboxylic acid, 1,1-dimethylethyl ester,t-butylcarbazate,tert-butoxycarbonyl hydrazide,boc-hydrazide,boc-hydrazine,tert-butoxycarbonyl hydrazine,carbazic acid tert-butyl ester PubChem CID: 70091 IUPAC Name: tert-butyl N-aminocarbamate SMILES: CC(C)(C)OC(=O)NN
PubChem CID | 70091 |
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CAS | 870-46-2 |
Molecular Weight (g/mol) | 132.163 |
MDL Number | MFCD00007593 |
SMILES | CC(C)(C)OC(=O)NN |
Synonym | tert-butyl carbazate,tert-butyl hydrazinecarboxylate,t-butyl carbazate,hydrazinecarboxylic acid, 1,1-dimethylethyl ester,t-butylcarbazate,tert-butoxycarbonyl hydrazide,boc-hydrazide,boc-hydrazine,tert-butoxycarbonyl hydrazine,carbazic acid tert-butyl ester |
IUPAC Name | tert-butyl N-aminocarbamate |
InChI Key | DKACXUFSLUYRFU-UHFFFAOYSA-N |
Molecular Formula | C5H12N2O2 |
Benzyl carbazate, 98+%
CAS: 5331-43-1 Molecular Formula: C8H10N2O2 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00041890 InChI Key: RXUBZLMIGSAPEJ-UHFFFAOYSA-N Synonym: benzyl carbazate,benzyl hydrazinecarboxylate,hydrazinecarboxylic acid, phenylmethyl ester,carbobenzoxyhydrazide,carbazic acid, benzyl ester,benzyloxycarbonyl hydrazide,benzylcarbazate,benzyloxy carbonyl hydrazine,n-cbz-hydrazine,unii-h7gm2h55tc PubChem CID: 79242 IUPAC Name: benzyl N-aminocarbamate SMILES: C1=CC=C(C=C1)COC(=O)NN
PubChem CID | 79242 |
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CAS | 5331-43-1 |
Molecular Weight (g/mol) | 166.18 |
MDL Number | MFCD00041890 |
SMILES | C1=CC=C(C=C1)COC(=O)NN |
Synonym | benzyl carbazate,benzyl hydrazinecarboxylate,hydrazinecarboxylic acid, phenylmethyl ester,carbobenzoxyhydrazide,carbazic acid, benzyl ester,benzyloxycarbonyl hydrazide,benzylcarbazate,benzyloxy carbonyl hydrazine,n-cbz-hydrazine,unii-h7gm2h55tc |
IUPAC Name | benzyl N-aminocarbamate |
InChI Key | RXUBZLMIGSAPEJ-UHFFFAOYSA-N |
Molecular Formula | C8H10N2O2 |