Organic acids and derivatives
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Titriplex™ II, Ethylenedinitrilotetraacetic acid, ACS, MilliporeSigma™
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 |
|---|---|
| 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 |
Diethyl (chloromethyl)phosphonate, 98%, Thermo Scientific Chemicals
CAS: 3167-63-3 Molecular Formula: C5H12ClO3P Molecular Weight (g/mol): 186.57 MDL Number: MFCD00010189 InChI Key: MZBIWKMCTWJLPT-UHFFFAOYSA-N Synonym: diethyl chloromethyl phosphonate,diethyl chloromethylphosphonate,diethyl chloromethanephosphonate,phosphonic acid, chloromethyl-, diethyl ester,chloromethylphosphonic acid diethyl ester,phosphonic acid, p-chloromethyl-, diethyl ester,chloromethyl phosphonic acid diethyl ester,1-chloromethyl ethoxy phosphoryl oxyethane,acmc-1cq3s PubChem CID: 76633 IUPAC Name: 1-[chloromethyl(ethoxy)phosphoryl]oxyethane SMILES: CCOP(=O)(CCl)OCC
| PubChem CID | 76633 |
|---|---|
| CAS | 3167-63-3 |
| Molecular Weight (g/mol) | 186.57 |
| MDL Number | MFCD00010189 |
| SMILES | CCOP(=O)(CCl)OCC |
| Synonym | diethyl chloromethyl phosphonate,diethyl chloromethylphosphonate,diethyl chloromethanephosphonate,phosphonic acid, chloromethyl-, diethyl ester,chloromethylphosphonic acid diethyl ester,phosphonic acid, p-chloromethyl-, diethyl ester,chloromethyl phosphonic acid diethyl ester,1-chloromethyl ethoxy phosphoryl oxyethane,acmc-1cq3s |
| IUPAC Name | 1-[chloromethyl(ethoxy)phosphoryl]oxyethane |
| InChI Key | MZBIWKMCTWJLPT-UHFFFAOYSA-N |
| Molecular Formula | C5H12ClO3P |
N-(Hydroxymethyl)acetamide, 98%
CAS: 625-51-4 Molecular Formula: C3H7NO2 Molecular Weight (g/mol): 89.09 MDL Number: MFCD00014417 InChI Key: HWJHZLJIIWOTGZ-UHFFFAOYSA-N Synonym: n-hydroxymethyl acetamide,acetamidomethanol,formicin,acetamide, n-hydroxymethyl,unii-rcg03a51mo,n-hydroxymethyl-acetamide,rcg03a51mo,acetamido methanol,n-acetylmethanolamine,acetylamino methanol PubChem CID: 69365 IUPAC Name: N-(hydroxymethyl)acetamide SMILES: CC(=O)NCO
| PubChem CID | 69365 |
|---|---|
| CAS | 625-51-4 |
| Molecular Weight (g/mol) | 89.09 |
| MDL Number | MFCD00014417 |
| SMILES | CC(=O)NCO |
| Synonym | n-hydroxymethyl acetamide,acetamidomethanol,formicin,acetamide, n-hydroxymethyl,unii-rcg03a51mo,n-hydroxymethyl-acetamide,rcg03a51mo,acetamido methanol,n-acetylmethanolamine,acetylamino methanol |
| IUPAC Name | N-(hydroxymethyl)acetamide |
| InChI Key | HWJHZLJIIWOTGZ-UHFFFAOYSA-N |
| Molecular Formula | C3H7NO2 |
Ethyl acetopyruvate, 98%
CAS: 615-79-2 Molecular Formula: C7H10O4 Molecular Weight (g/mol): 158.15 MDL Number: MFCD00009124 InChI Key: OYQVQWIASIXXRT-UHFFFAOYSA-N PubChem CID: 69208 IUPAC Name: ethyl 2,4-dioxopentanoate SMILES: CCOC(=O)C(=O)CC(C)=O
| PubChem CID | 69208 |
|---|---|
| CAS | 615-79-2 |
| Molecular Weight (g/mol) | 158.15 |
| MDL Number | MFCD00009124 |
| SMILES | CCOC(=O)C(=O)CC(C)=O |
| IUPAC Name | ethyl 2,4-dioxopentanoate |
| InChI Key | OYQVQWIASIXXRT-UHFFFAOYSA-N |
| Molecular Formula | C7H10O4 |
Tetraethyl methylenediphosphonate, 98+%
CAS: 1660-94-2 Molecular Formula: C9H22O6P2 Molecular Weight (g/mol): 288.22 MDL Number: MFCD00039887 InChI Key: STJWVOQLJPNAQL-UHFFFAOYSA-N Synonym: tetraethyl methylenediphosphonate,tetraethyl methanediphosphonate,tetraethyl diphosphonomethane,methylenebis diethylphosphonate,tetraethyl methylenebisphosphonate,phosphonic acid, methylenebis-, tetraethyl ester,methylenebis diethoxyphosphine oxide,methylenebisphosphonic acid, tetraethyl ester,phosphonic acid, methylenedi-, tetraethyl ester,methylenedi phosphonic acid tetraethyl ester PubChem CID: 15455 SMILES: CCOP(=O)(CP(=O)(OCC)OCC)OCC
| PubChem CID | 15455 |
|---|---|
| CAS | 1660-94-2 |
| Molecular Weight (g/mol) | 288.22 |
| MDL Number | MFCD00039887 |
| SMILES | CCOP(=O)(CP(=O)(OCC)OCC)OCC |
| Synonym | tetraethyl methylenediphosphonate,tetraethyl methanediphosphonate,tetraethyl diphosphonomethane,methylenebis diethylphosphonate,tetraethyl methylenebisphosphonate,phosphonic acid, methylenebis-, tetraethyl ester,methylenebis diethoxyphosphine oxide,methylenebisphosphonic acid, tetraethyl ester,phosphonic acid, methylenedi-, tetraethyl ester,methylenedi phosphonic acid tetraethyl ester |
| InChI Key | STJWVOQLJPNAQL-UHFFFAOYSA-N |
| Molecular Formula | C9H22O6P2 |
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 |
|---|---|
| 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 |
(-)-Diethyl D-tartrate, 99%, made from unnatural tartaric acid
CAS: 13811-71-7 Molecular Formula: C8H14O6 Molecular Weight (g/mol): 206.19 MDL Number: MFCD00064451 InChI Key: YSAVZVORKRDODB-WDSKDSINSA-N Synonym: --diethyl d-tartrate,2s,3s-diethyl 2,3-dihydroxysuccinate,diethyl d-tartrate,d---tartaric acid diethyl ester,diethyl d---tartrate,diethyl-d-tartrate,diethyl 2s,3s-2,3-dihydroxybutanedioate,2s,3s--dihydroxybutane-1,4-dioic acid diethyl ester,--diethyl-d-tartrate,diethyl s-r*,r*-tartrate PubChem CID: 117410 IUPAC Name: diethyl (2S,3S)-2,3-dihydroxybutanedioate SMILES: CCOC(=O)[C@@H](O)[C@H](O)C(=O)OCC
| PubChem CID | 117410 |
|---|---|
| CAS | 13811-71-7 |
| Molecular Weight (g/mol) | 206.19 |
| MDL Number | MFCD00064451 |
| SMILES | CCOC(=O)[C@@H](O)[C@H](O)C(=O)OCC |
| Synonym | --diethyl d-tartrate,2s,3s-diethyl 2,3-dihydroxysuccinate,diethyl d-tartrate,d---tartaric acid diethyl ester,diethyl d---tartrate,diethyl-d-tartrate,diethyl 2s,3s-2,3-dihydroxybutanedioate,2s,3s--dihydroxybutane-1,4-dioic acid diethyl ester,--diethyl-d-tartrate,diethyl s-r*,r*-tartrate |
| IUPAC Name | diethyl (2S,3S)-2,3-dihydroxybutanedioate |
| InChI Key | YSAVZVORKRDODB-WDSKDSINSA-N |
| Molecular Formula | C8H14O6 |
Ethyl 3,4,5-trimethylpyrrole-2-carboxylate, 98%
CAS: 2199-46-4 Molecular Formula: C10H15NO2 Molecular Weight (g/mol): 181.235 MDL Number: MFCD00051948 InChI Key: WBOGFZDTCIQHSX-UHFFFAOYSA-N Synonym: ethyl 3,4,5-trimethylpyrrole-2-carboxylate,1h-pyrrole-2-carboxylic acid, 3,4,5-trimethyl-, ethyl ester,ethyl 3,4,5-trimethyl-2-pyrrolecarboxylate,1h-pyrrole-2-carboxylic acid, 3,4,5-trimethyl, ethyl ester,acmc-20al0b,maybridge1_001943,2,3,4-trimethyl-5-carbethoxy-pyrrole,3,4,5-trimethylpyrrole-2-carboxylic acid ethyl ester,pyrrole-2-carboxylic acid, 3,4,5-trimethyl-, ethyl ester,1h-pyrrole-2-carboxylicacid, 3,4,5-trimethyl-, ethyl ester PubChem CID: 137479 IUPAC Name: ethyl 3,4,5-trimethyl-1H-pyrrole-2-carboxylate SMILES: CCOC(=O)C1=C(C(=C(N1)C)C)C
| PubChem CID | 137479 |
|---|---|
| CAS | 2199-46-4 |
| Molecular Weight (g/mol) | 181.235 |
| MDL Number | MFCD00051948 |
| SMILES | CCOC(=O)C1=C(C(=C(N1)C)C)C |
| Synonym | ethyl 3,4,5-trimethylpyrrole-2-carboxylate,1h-pyrrole-2-carboxylic acid, 3,4,5-trimethyl-, ethyl ester,ethyl 3,4,5-trimethyl-2-pyrrolecarboxylate,1h-pyrrole-2-carboxylic acid, 3,4,5-trimethyl, ethyl ester,acmc-20al0b,maybridge1_001943,2,3,4-trimethyl-5-carbethoxy-pyrrole,3,4,5-trimethylpyrrole-2-carboxylic acid ethyl ester,pyrrole-2-carboxylic acid, 3,4,5-trimethyl-, ethyl ester,1h-pyrrole-2-carboxylicacid, 3,4,5-trimethyl-, ethyl ester |
| IUPAC Name | ethyl 3,4,5-trimethyl-1H-pyrrole-2-carboxylate |
| InChI Key | WBOGFZDTCIQHSX-UHFFFAOYSA-N |
| Molecular Formula | C10H15NO2 |
Diethyl (2-aminoethyl)phosphonate oxalate, 97%
CAS: 203192-98-7 Molecular Formula: C6H17NO3P Molecular Weight (g/mol): 182.18 MDL Number: MFCD00800256 InChI Key: JUAGHBASZWRMQH-UHFFFAOYSA-O Synonym: diethyl 2-aminoethyl phosphonate oxalate,diethyl aminoethyl phosphonate oxalate,2-diethoxyphosphoryl ethylamine oxalate,2-diethoxyphosphorylethanamine; oxalic acid,oxalic acid diethyl 2-aminoethylphosphonate,diethyl 2-aminoethyl phosphonate oxalate salt,diethyl 2-aminoethyl phosphonate ethanedioate,aminoethylphosphonic acid diethylester oxalate salt PubChem CID: 2733595 IUPAC Name: 2-diethoxyphosphorylethanamine;oxalic acid SMILES: CCOP(=O)(CC[NH3+])OCC
| PubChem CID | 2733595 |
|---|---|
| CAS | 203192-98-7 |
| Molecular Weight (g/mol) | 182.18 |
| MDL Number | MFCD00800256 |
| SMILES | CCOP(=O)(CC[NH3+])OCC |
| Synonym | diethyl 2-aminoethyl phosphonate oxalate,diethyl aminoethyl phosphonate oxalate,2-diethoxyphosphoryl ethylamine oxalate,2-diethoxyphosphorylethanamine; oxalic acid,oxalic acid diethyl 2-aminoethylphosphonate,diethyl 2-aminoethyl phosphonate oxalate salt,diethyl 2-aminoethyl phosphonate ethanedioate,aminoethylphosphonic acid diethylester oxalate salt |
| IUPAC Name | 2-diethoxyphosphorylethanamine;oxalic acid |
| InChI Key | JUAGHBASZWRMQH-UHFFFAOYSA-O |
| Molecular Formula | C6H17NO3P |
| CAS | 5720-05-8 |
|---|
4-Ethoxymethylene-2-phenyloxazolin-5-one, 98+%
CAS: 15646-46-5 Molecular Formula: C12H11NO3 Molecular Weight (g/mol): 217.224 MDL Number: MFCD00003204 InChI Key: SJHPCNCNNSSLPL-NTMALXAHSA-N Synonym: oxazolone,oxazolone sensitizing agent,5 4h-oxazolone, 4-ethoxymethylene-2-phenyl,unii-78il0j7n72,4-ethoxymethylene-2-phenyl-2-oxazolin-5-one,4-ethoxymethylene-2-phenyloxazolin-5-one,4-ethoxymethylene-2-phenyl-2-oxazoline-5-one,4z-4-ethoxymethylidene-2-phenyl-1,3-oxazol-5-one,2-oxazolin-5-one, 4-ethoxymethylene-2-phenyl,4-ethoxymethylene-2-phenyloxazolone PubChem CID: 1712094 IUPAC Name: (4Z)-4-(ethoxymethylidene)-2-phenyl-1,3-oxazol-5-one SMILES: CCOC=C1C(=O)OC(=N1)C2=CC=CC=C2
| PubChem CID | 1712094 |
|---|---|
| CAS | 15646-46-5 |
| Molecular Weight (g/mol) | 217.224 |
| MDL Number | MFCD00003204 |
| SMILES | CCOC=C1C(=O)OC(=N1)C2=CC=CC=C2 |
| Synonym | oxazolone,oxazolone sensitizing agent,5 4h-oxazolone, 4-ethoxymethylene-2-phenyl,unii-78il0j7n72,4-ethoxymethylene-2-phenyl-2-oxazolin-5-one,4-ethoxymethylene-2-phenyloxazolin-5-one,4-ethoxymethylene-2-phenyl-2-oxazoline-5-one,4z-4-ethoxymethylidene-2-phenyl-1,3-oxazol-5-one,2-oxazolin-5-one, 4-ethoxymethylene-2-phenyl,4-ethoxymethylene-2-phenyloxazolone |
| IUPAC Name | (4Z)-4-(ethoxymethylidene)-2-phenyl-1,3-oxazol-5-one |
| InChI Key | SJHPCNCNNSSLPL-NTMALXAHSA-N |
| Molecular Formula | C12H11NO3 |
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 |
|---|---|
| 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 |
Iron(II) gluconate hydrate, 97%
CAS: 22830-45-1 Molecular Formula: C12H26FeO16 Molecular Weight (g/mol): 482.17 MDL Number: MFCD00150872 InChI Key: OKGNXSFAYMSVNN-SYAJEJNSSA-L Synonym: iron ii gluconate hydrate PubChem CID: 131851469 IUPAC Name: iron;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid;dihydrate SMILES: O.O.[Fe++].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O
| PubChem CID | 131851469 |
|---|---|
| CAS | 22830-45-1 |
| Molecular Weight (g/mol) | 482.17 |
| MDL Number | MFCD00150872 |
| SMILES | O.O.[Fe++].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O |
| Synonym | iron ii gluconate hydrate |
| IUPAC Name | iron;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid;dihydrate |
| InChI Key | OKGNXSFAYMSVNN-SYAJEJNSSA-L |
| Molecular Formula | C12H26FeO16 |
Quinoxaline-5-carboxylic acid, 95%, Thermo Scientific Chemicals
CAS: 6924-66-9 Molecular Formula: C9H6N2O2 Molecular Weight (g/mol): 174.16 MDL Number: MFCD02854494 InChI Key: QLZNISOPACYKOR-UHFFFAOYSA-N Synonym: 5-quinoxalinecarboxylic acid,5-carboxyquinoxaline,5-quinoxalinecarboxylicacid PubChem CID: 776833 IUPAC Name: quinoxaline-5-carboxylic acid SMILES: C1=CC(=C2C(=C1)N=CC=N2)C(=O)O
| PubChem CID | 776833 |
|---|---|
| CAS | 6924-66-9 |
| Molecular Weight (g/mol) | 174.16 |
| MDL Number | MFCD02854494 |
| SMILES | C1=CC(=C2C(=C1)N=CC=N2)C(=O)O |
| Synonym | 5-quinoxalinecarboxylic acid,5-carboxyquinoxaline,5-quinoxalinecarboxylicacid |
| IUPAC Name | quinoxaline-5-carboxylic acid |
| InChI Key | QLZNISOPACYKOR-UHFFFAOYSA-N |
| Molecular Formula | C9H6N2O2 |
3-(Trimethoxysilyl)propyl acrylate, 90%, stabilized
CAS: 4369-14-6 Molecular Formula: C9H18O5Si Molecular Weight (g/mol): 234.32 MDL Number: MFCD00054803 InChI Key: KBQVDAIIQCXKPI-UHFFFAOYSA-N Synonym: 3-trimethoxysilyl propyl acrylate,3-acryloyloxy propyltrimethoxysilane,3-acryloxypropyltrimethoxysilane,2-propenoic acid, 3-trimethoxysilyl propyl ester,3-acryloxypropyl trimethoxysilane,3-trimethoxysilyl propyl 2-propenoate,3-acryloyloxypropyltrimethoxysilane,3-acryloxypropyltrimethoxysilane, stab. with 100ppm bht,acmc-1aoz6,acrylic acid, 3-trimethoxysilyl propyl ester PubChem CID: 151204 IUPAC Name: 3-trimethoxysilylpropyl prop-2-enoate SMILES: CO[Si](CCCOC(=O)C=C)(OC)OC
| PubChem CID | 151204 |
|---|---|
| CAS | 4369-14-6 |
| Molecular Weight (g/mol) | 234.32 |
| MDL Number | MFCD00054803 |
| SMILES | CO[Si](CCCOC(=O)C=C)(OC)OC |
| Synonym | 3-trimethoxysilyl propyl acrylate,3-acryloyloxy propyltrimethoxysilane,3-acryloxypropyltrimethoxysilane,2-propenoic acid, 3-trimethoxysilyl propyl ester,3-acryloxypropyl trimethoxysilane,3-trimethoxysilyl propyl 2-propenoate,3-acryloyloxypropyltrimethoxysilane,3-acryloxypropyltrimethoxysilane, stab. with 100ppm bht,acmc-1aoz6,acrylic acid, 3-trimethoxysilyl propyl ester |
| IUPAC Name | 3-trimethoxysilylpropyl prop-2-enoate |
| InChI Key | KBQVDAIIQCXKPI-UHFFFAOYSA-N |
| Molecular Formula | C9H18O5Si |