Carboxylic acids and derivatives
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Methyl 3-cyclopentenecarboxylate, 97%, Thermo Scientific Chemicals
CAS: 58101-60-3 Molecular Formula: C7H10O2 Molecular Weight (g/mol): 126.16 MDL Number: MFCD04038661 InChI Key: CEOILRYKIJRPBZ-UHFFFAOYSA-N Synonym: methyl 3-cyclopentenecarboxylate,methyl cyclopent-3-enecarboxylate,methyl-3-cyclopentene-1-carboxylate,methyl3-cyclopentenecarboxylate,3-cyclopentene-1-carboxylic acid methyl ester,3-cyclopentene-1-carboxylic acid, methyl ester,acmc-209m2j,methyl cyclopent-3-ene carboxylate,4-methoxycarbonyl cyclopent-1-ene,methyl 3-cyclopentene-1-carboxylate PubChem CID: 1514118 IUPAC Name: methyl cyclopent-3-ene-1-carboxylate SMILES: COC(=O)C1CC=CC1
| PubChem CID | 1514118 |
|---|---|
| CAS | 58101-60-3 |
| Molecular Weight (g/mol) | 126.16 |
| MDL Number | MFCD04038661 |
| SMILES | COC(=O)C1CC=CC1 |
| Synonym | methyl 3-cyclopentenecarboxylate,methyl cyclopent-3-enecarboxylate,methyl-3-cyclopentene-1-carboxylate,methyl3-cyclopentenecarboxylate,3-cyclopentene-1-carboxylic acid methyl ester,3-cyclopentene-1-carboxylic acid, methyl ester,acmc-209m2j,methyl cyclopent-3-ene carboxylate,4-methoxycarbonyl cyclopent-1-ene,methyl 3-cyclopentene-1-carboxylate |
| IUPAC Name | methyl cyclopent-3-ene-1-carboxylate |
| InChI Key | CEOILRYKIJRPBZ-UHFFFAOYSA-N |
| Molecular Formula | C7H10O2 |
2,2,2-Trifluoroethyl methacrylate, 99%, stabilized, Thermo Scientific Chemicals
CAS: 352-87-4 Molecular Formula: C6H7F3O2 Molecular Weight (g/mol): 168.12 MDL Number: MFCD00013576,MFCD00274739 InChI Key: QTKPMCIBUROOGY-UHFFFAOYSA-N Synonym: 2,2,2-trifluoroethyl methacrylate,trifluoroethyl methacrylate,methacrylic acid 2,2,2-trifluoroethyl ester,2,2,2-trifluoroethylmethacrylate,2-propenoic acid, 2-methyl-, 2,2,2-trifluoroethyl ester,2-methyl-acrylic acid 2,2,2-trifluoro-ethyl ester,2-propenoic acid, 2-methyl-, trifluoroethyl ester,2-methyl-2-propenoic acid 2,2,2-trifluoroethyl ester,2,2,2-trifluoroethyl m,acmc-1af8z PubChem CID: 9608 IUPAC Name: 2,2,2-trifluoroethyl 2-methylprop-2-enoate SMILES: CC(=C)C(=O)OCC(F)(F)F
| PubChem CID | 9608 |
|---|---|
| CAS | 352-87-4 |
| Molecular Weight (g/mol) | 168.12 |
| MDL Number | MFCD00013576,MFCD00274739 |
| SMILES | CC(=C)C(=O)OCC(F)(F)F |
| Synonym | 2,2,2-trifluoroethyl methacrylate,trifluoroethyl methacrylate,methacrylic acid 2,2,2-trifluoroethyl ester,2,2,2-trifluoroethylmethacrylate,2-propenoic acid, 2-methyl-, 2,2,2-trifluoroethyl ester,2-methyl-acrylic acid 2,2,2-trifluoro-ethyl ester,2-propenoic acid, 2-methyl-, trifluoroethyl ester,2-methyl-2-propenoic acid 2,2,2-trifluoroethyl ester,2,2,2-trifluoroethyl m,acmc-1af8z |
| IUPAC Name | 2,2,2-trifluoroethyl 2-methylprop-2-enoate |
| InChI Key | QTKPMCIBUROOGY-UHFFFAOYSA-N |
| Molecular Formula | C6H7F3O2 |
3-Cyanophenylacetic acid, 95%
CAS: 1878-71-3 Molecular Formula: C9H7NO2 Molecular Weight (g/mol): 161.16 InChI Key: ZNXMNKGBHYVNNE-UHFFFAOYSA-N PubChem CID: 1519397 IUPAC Name: 2-(3-cyanophenyl)acetic acid SMILES: C1=CC(=CC(=C1)CC(=O)O)C#N
| PubChem CID | 1519397 |
|---|---|
| CAS | 1878-71-3 |
| Molecular Weight (g/mol) | 161.16 |
| SMILES | C1=CC(=CC(=C1)CC(=O)O)C#N |
| IUPAC Name | 2-(3-cyanophenyl)acetic acid |
| InChI Key | ZNXMNKGBHYVNNE-UHFFFAOYSA-N |
| Molecular Formula | C9H7NO2 |
2-Ethylhexyl acetate, 99%, pure
CAS: 103-09-3 Molecular Formula: C10H20O2 Molecular Weight (g/mol): 172.27 MDL Number: MFCD00027249 InChI Key: WOYWLLHHWAMFCB-UHFFFAOYNA-N Synonym: acetic acid, 2-ethylhexyl ester,2-ethyl-1-hexanol acetate,2-ethylhexyl ethanoate,2-ethyl-1-hexyl acetate,2-ethylhexanyl acetate,2-ethylhexylacetate,beta-ethylhexyl acetate,acetic acid 2-ethylhexyl ester,fema number 2806,2-ethylhexylester kyseliny octove PubChem CID: 7635 ChEBI: CHEBI:87392 IUPAC Name: 2-ethylhexyl acetate SMILES: CCCCC(CC)COC(C)=O
| PubChem CID | 7635 |
|---|---|
| CAS | 103-09-3 |
| Molecular Weight (g/mol) | 172.27 |
| ChEBI | CHEBI:87392 |
| MDL Number | MFCD00027249 |
| SMILES | CCCCC(CC)COC(C)=O |
| Synonym | acetic acid, 2-ethylhexyl ester,2-ethyl-1-hexanol acetate,2-ethylhexyl ethanoate,2-ethyl-1-hexyl acetate,2-ethylhexanyl acetate,2-ethylhexylacetate,beta-ethylhexyl acetate,acetic acid 2-ethylhexyl ester,fema number 2806,2-ethylhexylester kyseliny octove |
| IUPAC Name | 2-ethylhexyl acetate |
| InChI Key | WOYWLLHHWAMFCB-UHFFFAOYNA-N |
| Molecular Formula | C10H20O2 |
5-Acetylvaleric acid, 90+%, technical
CAS: 3128-07-2 Molecular Formula: C7H10O3 Molecular Weight (g/mol): 144.17 InChI Key: IZOQMUVIDMLRDC-UHFFFAOYSA-N Synonym: 5-acetylvaleric acid,heptanoic acid, 6-oxo,5-aceto valeric acid,6-oxo-heptanoic acid,unii-4u902i8qzo,5-acetylvalericacid,6-oxoenanthic acid,6-ketoheptanoic acid,5-acetylpentanoic acid,# PubChem CID: 98810 IUPAC Name: 6-oxoheptanoic acid SMILES: CC(=O)CCCCC(=O)O
| PubChem CID | 98810 |
|---|---|
| CAS | 3128-07-2 |
| Molecular Weight (g/mol) | 144.17 |
| SMILES | CC(=O)CCCCC(=O)O |
| Synonym | 5-acetylvaleric acid,heptanoic acid, 6-oxo,5-aceto valeric acid,6-oxo-heptanoic acid,unii-4u902i8qzo,5-acetylvalericacid,6-oxoenanthic acid,6-ketoheptanoic acid,5-acetylpentanoic acid,# |
| IUPAC Name | 6-oxoheptanoic acid |
| InChI Key | IZOQMUVIDMLRDC-UHFFFAOYSA-N |
| Molecular Formula | C7H10O3 |
Propionic acid, ACS reagent
CAS: 79-09-4 Molecular Formula: C3H6O2 Molecular Weight (g/mol): 74.08 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 |
|---|---|
| CAS | 79-09-4 |
| Molecular Weight (g/mol) | 74.08 |
| ChEBI | CHEBI:30768 |
| 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 |
2-Keto-D-gluconic acid, hemicalcium salt monohydrate, >98%, MP Biomedicals™
CAS: 3470-37-9 Molecular Formula: C12H20CaO14 Molecular Weight (g/mol): 428.356 MDL Number: MFCD00149104 InChI Key: QACANIDDQFGAJU-JQTJLMCZSA-N Synonym: calcium 2-keto-d-gluconate PubChem CID: 131852723 IUPAC Name: calcium;(3S,4R,5R)-3,4,5,6-tetrahydroxy-2-oxohexanoic acid SMILES: C(C(C(C(C(=O)C(=O)O)O)O)O)O.C(C(C(C(C(=O)C(=O)O)O)O)O)O.[Ca]
| PubChem CID | 131852723 |
|---|---|
| CAS | 3470-37-9 |
| Molecular Weight (g/mol) | 428.356 |
| MDL Number | MFCD00149104 |
| SMILES | C(C(C(C(C(=O)C(=O)O)O)O)O)O.C(C(C(C(C(=O)C(=O)O)O)O)O)O.[Ca] |
| Synonym | calcium 2-keto-d-gluconate |
| IUPAC Name | calcium;(3S,4R,5R)-3,4,5,6-tetrahydroxy-2-oxohexanoic acid |
| InChI Key | QACANIDDQFGAJU-JQTJLMCZSA-N |
| Molecular Formula | C12H20CaO14 |
Spectrum Chemical Manufacturing Corporation Sodium Ascorbate, Powder, USP, 99-101%, Spectrum™ Chemical
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CAS: 134-03-2 Molecular Formula: C6H7NaO6 Molecular Weight (g/mol): 198.11 InChI Key: IFVCRSPJFHGFCG-HXPAKLQESA-N IUPAC Name: sodium 5-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-2,4-dioxooxolan-3-ide SMILES: [Na+].OC[C@H](O)C1OC(=O)[C-](O)C1=O
| CAS | 134-03-2 |
|---|---|
| Molecular Weight (g/mol) | 198.11 |
| SMILES | [Na+].OC[C@H](O)C1OC(=O)[C-](O)C1=O |
| IUPAC Name | sodium 5-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-2,4-dioxooxolan-3-ide |
| InChI Key | IFVCRSPJFHGFCG-HXPAKLQESA-N |
| Molecular Formula | C6H7NaO6 |
Ethylene glycol-bis-(β-aminoethylether)-N,N,N',N'-tetraacetic acid, 99.6%, MP Biomedicals™
CAS: 67-42-5 Molecular Formula: C14H24N2O10 Molecular Weight (g/mol): 380.35 InChI Key: DEFVIWRASFVYLL-UHFFFAOYSA-N Synonym: egta,egtazic acid,gedta,ethylenebis oxyethylenenitrilo tetraacetic acid,ebonta,6,9-dioxa-3,12-diazatetradecanedioic acid, 3,12-bis carboxymethyl,1,2-bis 2-bis carboxymethyl amino ethoxy ethane,ethylene glycol tetraacetic acid,h4egta,egtazic acid usan:inn PubChem CID: 6207 ChEBI: CHEBI:30740 IUPAC Name: 2-[2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid SMILES: C(COCCOCCN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O
| PubChem CID | 6207 |
|---|---|
| CAS | 67-42-5 |
| Molecular Weight (g/mol) | 380.35 |
| ChEBI | CHEBI:30740 |
| SMILES | C(COCCOCCN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O |
| Synonym | egta,egtazic acid,gedta,ethylenebis oxyethylenenitrilo tetraacetic acid,ebonta,6,9-dioxa-3,12-diazatetradecanedioic acid, 3,12-bis carboxymethyl,1,2-bis 2-bis carboxymethyl amino ethoxy ethane,ethylene glycol tetraacetic acid,h4egta,egtazic acid usan:inn |
| IUPAC Name | 2-[2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid |
| InChI Key | DEFVIWRASFVYLL-UHFFFAOYSA-N |
| Molecular Formula | C14H24N2O10 |
Ethylenediamine Tetraacetic Acid, ACS, MP Biomedicals™
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 |
Diethylenetriamine-N,N,N',N″,N″-pentaacetic acid, 90%, MP Biomedicals™
CAS: 67-43-6 Molecular Formula: C14H23N3O10 Molecular Weight (g/mol): 393.349 InChI Key: QPCDCPDFJACHGM-UHFFFAOYSA-N Synonym: pentetic acid,diethylenetriaminepentaacetic acid,dtpa,detapac,complexon v,detarex,perma kleer,titriplex v,monaquest cai,hamp-ex acid PubChem CID: 3053 ChEBI: CHEBI:35739 IUPAC Name: 2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid SMILES: C(CN(CC(=O)O)CC(=O)O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O
| PubChem CID | 3053 |
|---|---|
| CAS | 67-43-6 |
| Molecular Weight (g/mol) | 393.349 |
| ChEBI | CHEBI:35739 |
| SMILES | C(CN(CC(=O)O)CC(=O)O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O |
| Synonym | pentetic acid,diethylenetriaminepentaacetic acid,dtpa,detapac,complexon v,detarex,perma kleer,titriplex v,monaquest cai,hamp-ex acid |
| IUPAC Name | 2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid |
| InChI Key | QPCDCPDFJACHGM-UHFFFAOYSA-N |
| Molecular Formula | C14H23N3O10 |
TraceCERT™ EPA Phthalate Esters Mix, 2000 μg/mL, Certified Reference Material, MilliporeSigma™ Supelco™
This certified reference material (CRM) is produced and certified in accordance with ISO/IEC 17025 and ISO 17034. This CRM is traceable to the SI through a primary reference material from a NMI. Certified content incl. uncertainty and expiry date are stated on the enclosed certificate.
N-(Bromomethyl)phthalimide, 95%
CAS: 5332-26-3 Molecular Formula: C9H6BrNO2 Molecular Weight (g/mol): 240.056 MDL Number: MFCD00005897 InChI Key: UUSLLECLCKTJQF-UHFFFAOYSA-N Synonym: n-bromomethyl phthalimide,2-bromomethyl isoindoline-1,3-dione,n-bromomethylphthalimide,phthalimide, n-bromomethyl,phthalimidomethyl bromide,1h-isoindole-1,3 2h-dione, 2-bromomethyl,2-bromomethyl isoindole-1,3-dione,2-bromomethyl-1h-isoindole-1,3 2h-dione,2-bromomethyl-2,3-dihydro-1h-isoindole-1,3-dione,acmc-1awzk PubChem CID: 79244 IUPAC Name: 2-(bromomethyl)isoindole-1,3-dione SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)CBr
| PubChem CID | 79244 |
|---|---|
| CAS | 5332-26-3 |
| Molecular Weight (g/mol) | 240.056 |
| MDL Number | MFCD00005897 |
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)CBr |
| Synonym | n-bromomethyl phthalimide,2-bromomethyl isoindoline-1,3-dione,n-bromomethylphthalimide,phthalimide, n-bromomethyl,phthalimidomethyl bromide,1h-isoindole-1,3 2h-dione, 2-bromomethyl,2-bromomethyl isoindole-1,3-dione,2-bromomethyl-1h-isoindole-1,3 2h-dione,2-bromomethyl-2,3-dihydro-1h-isoindole-1,3-dione,acmc-1awzk |
| IUPAC Name | 2-(bromomethyl)isoindole-1,3-dione |
| InChI Key | UUSLLECLCKTJQF-UHFFFAOYSA-N |
| Molecular Formula | C9H6BrNO2 |
2-(1-Adamantyl)acetic acid, 97%, Thermo Scientific™
CAS: 4942-47-6 Molecular Formula: C12H17O2 Molecular Weight (g/mol): 193.27 MDL Number: MFCD00074728 InChI Key: AOTQGWFNFTVXNQ-UHFFFAOYSA-M Synonym: 1-adamantaneacetic acid,2-adamantan-1-yl acetic acid,1-adamantylacetic acid,1-adamantane acetic acid,adamantan-1-ylacetic acid,2-1-adamantyl acetic acid,tricyclo 3.3.1.13,7 dec-1-ylacetic acid,adamantan-1-yl-acetic acid,1-carboxymethyl adamantane PubChem CID: 123221 SMILES: [O-]C(=O)CC12CC3CC(CC(C3)C1)C2
| PubChem CID | 123221 |
|---|---|
| CAS | 4942-47-6 |
| Molecular Weight (g/mol) | 193.27 |
| MDL Number | MFCD00074728 |
| SMILES | [O-]C(=O)CC12CC3CC(CC(C3)C1)C2 |
| Synonym | 1-adamantaneacetic acid,2-adamantan-1-yl acetic acid,1-adamantylacetic acid,1-adamantane acetic acid,adamantan-1-ylacetic acid,2-1-adamantyl acetic acid,tricyclo 3.3.1.13,7 dec-1-ylacetic acid,adamantan-1-yl-acetic acid,1-carboxymethyl adamantane |
| InChI Key | AOTQGWFNFTVXNQ-UHFFFAOYSA-M |
| Molecular Formula | C12H17O2 |
1-Methyl-3-phenyl-1H-pyrazole-5-carboxylic acid, 97%, Thermo Scientific™
CAS: 10250-64-3 Molecular Formula: C11H10N2O2 Molecular Weight (g/mol): 202.213 MDL Number: MFCD08271939 InChI Key: RTBQZMPYPFQBHA-UHFFFAOYSA-N PubChem CID: 7537625 IUPAC Name: 2-methyl-5-phenylpyrazole-3-carboxylic acid SMILES: CN1C(=CC(=N1)C2=CC=CC=C2)C(=O)O
| PubChem CID | 7537625 |
|---|---|
| CAS | 10250-64-3 |
| Molecular Weight (g/mol) | 202.213 |
| MDL Number | MFCD08271939 |
| SMILES | CN1C(=CC(=N1)C2=CC=CC=C2)C(=O)O |
| IUPAC Name | 2-methyl-5-phenylpyrazole-3-carboxylic acid |
| InChI Key | RTBQZMPYPFQBHA-UHFFFAOYSA-N |
| Molecular Formula | C11H10N2O2 |