Organic acids and derivatives
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Ethyl 4,4,4-Trifluoro-3-hydroxybutyrate 98.0+%, TCI America™
CAS: 372-30-5 Molecular Formula: C6H9F3O3 Molecular Weight (g/mol): 186.13 MDL Number: MFCD00040842 InChI Key: ZWEDFBKLJILTMC-UHFFFAOYNA-N Synonym: ethyl 3-hydroxy-4,4,4-trifluorobutyrate,ethyl 4,4,4-trifluoro-3-hydroxybutyrate,ethyl 3-hydroxy-4,4,4-trifluorobutanoate,3-hydroxy-4,4,4-trifluorobutyric acid ethyl ester,4,4,4-trifluoro-3-hydroxybutyric acid ethyl ester,ethyl3-hydroxy-4,4,4-trifluorobutyrate,butanoic acid, 4,4,4-trifluoro-3-hydroxy-, ethyl ester,acmc-209irs,acmc-20al28,ksc496k8b PubChem CID: 136210 IUPAC Name: ethyl 4,4,4-trifluoro-3-hydroxybutanoate SMILES: CCOC(=O)CC(O)C(F)(F)F
| PubChem CID | 136210 |
|---|---|
| CAS | 372-30-5 |
| Molecular Weight (g/mol) | 186.13 |
| MDL Number | MFCD00040842 |
| SMILES | CCOC(=O)CC(O)C(F)(F)F |
| Synonym | ethyl 3-hydroxy-4,4,4-trifluorobutyrate,ethyl 4,4,4-trifluoro-3-hydroxybutyrate,ethyl 3-hydroxy-4,4,4-trifluorobutanoate,3-hydroxy-4,4,4-trifluorobutyric acid ethyl ester,4,4,4-trifluoro-3-hydroxybutyric acid ethyl ester,ethyl3-hydroxy-4,4,4-trifluorobutyrate,butanoic acid, 4,4,4-trifluoro-3-hydroxy-, ethyl ester,acmc-209irs,acmc-20al28,ksc496k8b |
| IUPAC Name | ethyl 4,4,4-trifluoro-3-hydroxybutanoate |
| InChI Key | ZWEDFBKLJILTMC-UHFFFAOYNA-N |
| Molecular Formula | C6H9F3O3 |
Tripropyl Citrate 97.0+%, TCI America™
CAS: 1587-21-9 Molecular Formula: C15H26O7 Molecular Weight (g/mol): 318.37 MDL Number: MFCD00059407 InChI Key: ODHUFJLMXDXVRC-UHFFFAOYSA-N Synonym: Citric Acid Tripropyl Ester PubChem CID: 74113 IUPAC Name: 1,2,3-tripropyl 2-hydroxypropane-1,2,3-tricarboxylate SMILES: CCCOC(=O)CC(O)(CC(=O)OCCC)C(=O)OCCC
| PubChem CID | 74113 |
|---|---|
| CAS | 1587-21-9 |
| Molecular Weight (g/mol) | 318.37 |
| MDL Number | MFCD00059407 |
| SMILES | CCCOC(=O)CC(O)(CC(=O)OCCC)C(=O)OCCC |
| Synonym | Citric Acid Tripropyl Ester |
| IUPAC Name | 1,2,3-tripropyl 2-hydroxypropane-1,2,3-tricarboxylate |
| InChI Key | ODHUFJLMXDXVRC-UHFFFAOYSA-N |
| Molecular Formula | C15H26O7 |
Methyl trans-2-Octenoate 95.0+%, TCI America™
CAS: 7367-81-9 Molecular Formula: C9H16O2 Molecular Weight (g/mol): 156.225 MDL Number: MFCD00036620 InChI Key: CJBQSBZJDJHMLF-BQYQJAHWSA-N Synonym: methyl trans-2-octenoate,methyl oct-2-enoate,methyl 2-octenoate,2-octenoic acid, methyl ester,methyl e-oct-2-enoate,unii-9en9v40j78,2-octenoic acid, methyl ester, e,2-octenoic acid, methyl ester, 2e,2-octenoic acid methyl ester,fema no. 3712 PubChem CID: 5364532 IUPAC Name: methyl (E)-oct-2-enoate SMILES: CCCCCC=CC(=O)OC
| PubChem CID | 5364532 |
|---|---|
| CAS | 7367-81-9 |
| Molecular Weight (g/mol) | 156.225 |
| MDL Number | MFCD00036620 |
| SMILES | CCCCCC=CC(=O)OC |
| Synonym | methyl trans-2-octenoate,methyl oct-2-enoate,methyl 2-octenoate,2-octenoic acid, methyl ester,methyl e-oct-2-enoate,unii-9en9v40j78,2-octenoic acid, methyl ester, e,2-octenoic acid, methyl ester, 2e,2-octenoic acid methyl ester,fema no. 3712 |
| IUPAC Name | methyl (E)-oct-2-enoate |
| InChI Key | CJBQSBZJDJHMLF-BQYQJAHWSA-N |
| Molecular Formula | C9H16O2 |
(R)-(+)-2-Chloropropionic Acid 98.0+%, TCI America™
CAS: 7474-05-7 Molecular Formula: C3H4ClO2 Molecular Weight (g/mol): 107.51 MDL Number: MFCD00064204 InChI Key: GAWAYYRQGQZKCR-UWTATZPHSA-M Synonym: r-+-2-chloropropionic acid,r-2-chloropropanoic acid,r-2-chloropropionic acid,r-2-chloro-propionic acid,r +-2-chloropropionic acid,unii-f60st8319r,2-chloropropionic acid, +,propanoic acid, 2-chloro-, 2r,d-2-chloropropionic acid,+-2-chloropropanoic acid PubChem CID: 2724540 IUPAC Name: (2R)-2-chloropropanoic acid SMILES: CC(C(=O)O)Cl
| PubChem CID | 2724540 |
|---|---|
| CAS | 7474-05-7 |
| Molecular Weight (g/mol) | 107.51 |
| MDL Number | MFCD00064204 |
| SMILES | CC(C(=O)O)Cl |
| Synonym | r-+-2-chloropropionic acid,r-2-chloropropanoic acid,r-2-chloropropionic acid,r-2-chloro-propionic acid,r +-2-chloropropionic acid,unii-f60st8319r,2-chloropropionic acid, +,propanoic acid, 2-chloro-, 2r,d-2-chloropropionic acid,+-2-chloropropanoic acid |
| IUPAC Name | (2R)-2-chloropropanoic acid |
| InChI Key | GAWAYYRQGQZKCR-UWTATZPHSA-M |
| Molecular Formula | C3H4ClO2 |
Hemimellitic Acid 98.0+%, TCI America™
CAS: 569-51-7 Molecular Formula: C9H6O6 Molecular Weight (g/mol): 210.141 MDL Number: MFCD00002468 InChI Key: UJMDYLWCYJJYMO-UHFFFAOYSA-N Synonym: 1,2,3-Benzenetricarboxylic Acid PubChem CID: 11288 IUPAC Name: benzene-1,2,3-tricarboxylic acid SMILES: C1=CC(=C(C(=C1)C(=O)O)C(=O)O)C(=O)O
| PubChem CID | 11288 |
|---|---|
| CAS | 569-51-7 |
| Molecular Weight (g/mol) | 210.141 |
| MDL Number | MFCD00002468 |
| SMILES | C1=CC(=C(C(=C1)C(=O)O)C(=O)O)C(=O)O |
| Synonym | 1,2,3-Benzenetricarboxylic Acid |
| IUPAC Name | benzene-1,2,3-tricarboxylic acid |
| InChI Key | UJMDYLWCYJJYMO-UHFFFAOYSA-N |
| Molecular Formula | C9H6O6 |
Tricyclo[6.4.0.0(2,7)]dodecane-1,8:2,7-tetracarboxylic Dianhydride 98.0+%, TCI America™
CAS: 738-90-9 Molecular Formula: C16H16O6 Molecular Weight (g/mol): 304.30 MDL Number: MFCD11055168 InChI Key: YRPOEHNJJZOQJH-UHFFFAOYSA-N Synonym: Octahydrobiphenylene-4a,8b:4b,8a-tetracarboxylic Dianhydride, Octahydro-4a,8b:4b,8a-bis(methanooxymethano)biphenylene-9,11,12,14-tetraone PubChem CID: 53384377 IUPAC Name: 14,17-dioxapentacyclo[6.4.3.3²,⁷.0¹,⁸.0²,⁷]octadecane-13,15,16,18-tetrone SMILES: O=C1OC(=O)C23CCCCC12C12CCCCC31C(=O)OC2=O
| PubChem CID | 53384377 |
|---|---|
| CAS | 738-90-9 |
| Molecular Weight (g/mol) | 304.30 |
| MDL Number | MFCD11055168 |
| SMILES | O=C1OC(=O)C23CCCCC12C12CCCCC31C(=O)OC2=O |
| Synonym | Octahydrobiphenylene-4a,8b:4b,8a-tetracarboxylic Dianhydride, Octahydro-4a,8b:4b,8a-bis(methanooxymethano)biphenylene-9,11,12,14-tetraone |
| IUPAC Name | 14,17-dioxapentacyclo[6.4.3.3²,⁷.0¹,⁸.0²,⁷]octadecane-13,15,16,18-tetrone |
| InChI Key | YRPOEHNJJZOQJH-UHFFFAOYSA-N |
| Molecular Formula | C16H16O6 |
7-Benzyloxy-6-methoxy-3H-quinazolin-4-one 98.0+%, TCI America™
CAS: 179688-01-8 Molecular Formula: C16H14N2O3 Molecular Weight (g/mol): 282.299 MDL Number: MFCD04115119 InChI Key: ZCUFFSHMOAEEIL-UHFFFAOYSA-N Synonym: 7-benzyloxy-6-methoxyquinazolin-4 3h-one,6-methoxy-7-benzyloxyquinazolin-4-one,7-benzyloxy-6-methoxy-3h-quinazolin-4-one,7-benzyloxy-6-methoxyquinazolin-4-ol,7-benzyloxy-6-methoxyquinazolin-4 1h-one,4 3h-quinazolinone, 6-methoxy-7-phenylmethoxy,7-benzyloxy-6-methoxy-4 3h-quinazolinone,4 1h-quinazolinone, 6-methoxy-7-phenylmethoxy PubChem CID: 10540849 IUPAC Name: 6-methoxy-7-phenylmethoxy-1H-quinazolin-4-one SMILES: COC1=C(C=C2C(=C1)C(=O)N=CN2)OCC3=CC=CC=C3
| PubChem CID | 10540849 |
|---|---|
| CAS | 179688-01-8 |
| Molecular Weight (g/mol) | 282.299 |
| MDL Number | MFCD04115119 |
| SMILES | COC1=C(C=C2C(=C1)C(=O)N=CN2)OCC3=CC=CC=C3 |
| Synonym | 7-benzyloxy-6-methoxyquinazolin-4 3h-one,6-methoxy-7-benzyloxyquinazolin-4-one,7-benzyloxy-6-methoxy-3h-quinazolin-4-one,7-benzyloxy-6-methoxyquinazolin-4-ol,7-benzyloxy-6-methoxyquinazolin-4 1h-one,4 3h-quinazolinone, 6-methoxy-7-phenylmethoxy,7-benzyloxy-6-methoxy-4 3h-quinazolinone,4 1h-quinazolinone, 6-methoxy-7-phenylmethoxy |
| IUPAC Name | 6-methoxy-7-phenylmethoxy-1H-quinazolin-4-one |
| InChI Key | ZCUFFSHMOAEEIL-UHFFFAOYSA-N |
| Molecular Formula | C16H14N2O3 |
Tris(1H,1H,5H-octafluoropentyl) Phosphate 95.0+%, TCI America™
CAS: 355-86-2 Molecular Formula: C15H9F24O4P Molecular Weight (g/mol): 740.168 MDL Number: MFCD00054654 InChI Key: BSOLVVCARHZLMT-UHFFFAOYSA-N Synonym: Phosphoric Acid Tris(1H,1H,5H-octafluoropentyl) Ester PubChem CID: 2778037 IUPAC Name: tris(2,2,3,3,4,4,5,5-octafluoropentyl) phosphate SMILES: C(C(C(C(C(F)F)(F)F)(F)F)(F)F)OP(=O)(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)OCC(C(C(C(F)F)(F)F)(F)F)(F)F
| PubChem CID | 2778037 |
|---|---|
| CAS | 355-86-2 |
| Molecular Weight (g/mol) | 740.168 |
| MDL Number | MFCD00054654 |
| SMILES | C(C(C(C(C(F)F)(F)F)(F)F)(F)F)OP(=O)(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)OCC(C(C(C(F)F)(F)F)(F)F)(F)F |
| Synonym | Phosphoric Acid Tris(1H,1H,5H-octafluoropentyl) Ester |
| IUPAC Name | tris(2,2,3,3,4,4,5,5-octafluoropentyl) phosphate |
| InChI Key | BSOLVVCARHZLMT-UHFFFAOYSA-N |
| Molecular Formula | C15H9F24O4P |
Methyl Dichlorostearate (mixture of isomers), TCI America™
CAS: 27986-38-5 Molecular Formula: C19H36Cl2O2 Molecular Weight (g/mol): 367.395 MDL Number: MFCD00060077 InChI Key: HDINWBRYKNUCEC-UHFFFAOYSA-N Synonym: Dichlorooctadecanoic Acid Methyl Ester, Dichlorostearic Acid Methyl Ester, Methyl Dichlorooctadecanoate PubChem CID: 53871329 IUPAC Name: methyl 2,2-dichlorooctadecanoate SMILES: CCCCCCCCCCCCCCCCC(C(=O)OC)(Cl)Cl
| PubChem CID | 53871329 |
|---|---|
| CAS | 27986-38-5 |
| Molecular Weight (g/mol) | 367.395 |
| MDL Number | MFCD00060077 |
| SMILES | CCCCCCCCCCCCCCCCC(C(=O)OC)(Cl)Cl |
| Synonym | Dichlorooctadecanoic Acid Methyl Ester, Dichlorostearic Acid Methyl Ester, Methyl Dichlorooctadecanoate |
| IUPAC Name | methyl 2,2-dichlorooctadecanoate |
| InChI Key | HDINWBRYKNUCEC-UHFFFAOYSA-N |
| Molecular Formula | C19H36Cl2O2 |
N,N-Dimethylbenzamide 99.0+%, TCI America™
CAS: 611-74-5 Molecular Formula: C9H11NO Molecular Weight (g/mol): 149.19 MDL Number: MFCD00008320 InChI Key: IMNDHOCGZLYMRO-UHFFFAOYSA-N Synonym: dimethylbenzamide,benzamide, n,n-dimethyl,nn-dimethylbenzamide,dimethylbenzmide,n,n-dmethylbenzamde,dmbz,n,n-dimethyl benzamide,n,n-dimethyl-benzamide,acmc-209mps,benzamide,n,n-dimethyl PubChem CID: 11916 IUPAC Name: N,N-dimethylbenzamide SMILES: CN(C)C(=O)C1=CC=CC=C1
| PubChem CID | 11916 |
|---|---|
| CAS | 611-74-5 |
| Molecular Weight (g/mol) | 149.19 |
| MDL Number | MFCD00008320 |
| SMILES | CN(C)C(=O)C1=CC=CC=C1 |
| Synonym | dimethylbenzamide,benzamide, n,n-dimethyl,nn-dimethylbenzamide,dimethylbenzmide,n,n-dmethylbenzamde,dmbz,n,n-dimethyl benzamide,n,n-dimethyl-benzamide,acmc-209mps,benzamide,n,n-dimethyl |
| IUPAC Name | N,N-dimethylbenzamide |
| InChI Key | IMNDHOCGZLYMRO-UHFFFAOYSA-N |
| Molecular Formula | C9H11NO |
2-Chloro-4-methoxyphenylboronic Acid (contains varying amounts of Anhydride), TCI America™
CAS: 219735-99-6 Molecular Formula: C7H8BClO3 Molecular Weight (g/mol): 186.40 MDL Number: MFCD03411935 InChI Key: LOCGPWGCRVKCFN-UHFFFAOYSA-N PubChem CID: 2773330 IUPAC Name: (2-chloro-4-methoxyphenyl)boronic acid SMILES: COC1=CC=C(B(O)O)C(Cl)=C1
| PubChem CID | 2773330 |
|---|---|
| CAS | 219735-99-6 |
| Molecular Weight (g/mol) | 186.40 |
| MDL Number | MFCD03411935 |
| SMILES | COC1=CC=C(B(O)O)C(Cl)=C1 |
| IUPAC Name | (2-chloro-4-methoxyphenyl)boronic acid |
| InChI Key | LOCGPWGCRVKCFN-UHFFFAOYSA-N |
| Molecular Formula | C7H8BClO3 |
meso-2,3-Dimercaptosuccinic Acid 95.0+%, TCI America™
CAS: 304-55-2 Molecular Formula: C4H6O4S2 Molecular Weight (g/mol): 182.208 MDL Number: MFCD00064799 InChI Key: ACTRVOBWPAIOHC-XIXRPRMCSA-N Synonym: succimer,meso-2,3-dimercaptosuccinic acid,meso-dimercaptosuccinic acid,dmsa,dim-sa,2r,3s-rel-2,3-dimercaptosuccinic acid,succimero,succimerum,chemet,dimercaptosuccinic acid PubChem CID: 2724354 ChEBI: CHEBI:63623 IUPAC Name: (2S,3R)-2,3-bis(sulfanyl)butanedioic acid SMILES: C(C(C(=O)O)S)(C(=O)O)S
| PubChem CID | 2724354 |
|---|---|
| CAS | 304-55-2 |
| Molecular Weight (g/mol) | 182.208 |
| ChEBI | CHEBI:63623 |
| MDL Number | MFCD00064799 |
| SMILES | C(C(C(=O)O)S)(C(=O)O)S |
| Synonym | succimer,meso-2,3-dimercaptosuccinic acid,meso-dimercaptosuccinic acid,dmsa,dim-sa,2r,3s-rel-2,3-dimercaptosuccinic acid,succimero,succimerum,chemet,dimercaptosuccinic acid |
| IUPAC Name | (2S,3R)-2,3-bis(sulfanyl)butanedioic acid |
| InChI Key | ACTRVOBWPAIOHC-XIXRPRMCSA-N |
| Molecular Formula | C4H6O4S2 |
Dimethyl 1,4-Phenylenediacrylate 95.0+%, TCI America™
CAS: 7549-44-2 Molecular Formula: C14H14O4 Molecular Weight (g/mol): 246.26 MDL Number: MFCD00185690 InChI Key: IFNSXAJHSAPYLB-UHFFFAOYSA-N Synonym: 1,4-Phenylenediacrylic Acid Dimethyl Ester PubChem CID: 6025991 IUPAC Name: methyl 3-[4-(3-methoxy-3-oxoprop-1-en-1-yl)phenyl]prop-2-enoate SMILES: COC(=O)C=CC1=CC=C(C=CC(=O)OC)C=C1
| PubChem CID | 6025991 |
|---|---|
| CAS | 7549-44-2 |
| Molecular Weight (g/mol) | 246.26 |
| MDL Number | MFCD00185690 |
| SMILES | COC(=O)C=CC1=CC=C(C=CC(=O)OC)C=C1 |
| Synonym | 1,4-Phenylenediacrylic Acid Dimethyl Ester |
| IUPAC Name | methyl 3-[4-(3-methoxy-3-oxoprop-1-en-1-yl)phenyl]prop-2-enoate |
| InChI Key | IFNSXAJHSAPYLB-UHFFFAOYSA-N |
| Molecular Formula | C14H14O4 |
Cyclohexyl p-Toluenesulfonate 98.0+%, TCI America™
CAS: 953-91-3 Molecular Formula: C13H18O3S Molecular Weight (g/mol): 254.344 MDL Number: MFCD00014291 InChI Key: OHHPZPDQZMUTCA-UHFFFAOYSA-N Synonym: cyclohexyl p-toluenesulfonate,cyclohexyl tosylate,cyclohexyl toluenesulfonate,cyclohexylp-toluenesulfonate,cyclohexyl p-toluenesulphonate,benzenesulfonic acid, 4-methyl-, cyclohexyl ester,p-toluenesulfonic acid, cyclohexyl ester,cyclohexyl-p-toluene sulfonate,benzenesulfonic acid, cyclohexyl ester,acmc-20aj06 PubChem CID: 13722 IUPAC Name: cyclohexyl 4-methylbenzenesulfonate SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC2CCCCC2
| PubChem CID | 13722 |
|---|---|
| CAS | 953-91-3 |
| Molecular Weight (g/mol) | 254.344 |
| MDL Number | MFCD00014291 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2CCCCC2 |
| Synonym | cyclohexyl p-toluenesulfonate,cyclohexyl tosylate,cyclohexyl toluenesulfonate,cyclohexylp-toluenesulfonate,cyclohexyl p-toluenesulphonate,benzenesulfonic acid, 4-methyl-, cyclohexyl ester,p-toluenesulfonic acid, cyclohexyl ester,cyclohexyl-p-toluene sulfonate,benzenesulfonic acid, cyclohexyl ester,acmc-20aj06 |
| IUPAC Name | cyclohexyl 4-methylbenzenesulfonate |
| InChI Key | OHHPZPDQZMUTCA-UHFFFAOYSA-N |
| Molecular Formula | C13H18O3S |
Trimethyl trans-Aconitate 97.0+%, TCI America™
CAS: 4271-99-2 Molecular Formula: C9H12O6 Molecular Weight (g/mol): 216.189 MDL Number: MFCD00059304 InChI Key: DZAIBGWGBBQGPZ-GQCTYLIASA-N Synonym: trans-Aconitic Acid Trimethyl Ester PubChem CID: 6376716 IUPAC Name: trimethyl (E)-prop-1-ene-1,2,3-tricarboxylate SMILES: COC(=O)CC(=CC(=O)OC)C(=O)OC
| PubChem CID | 6376716 |
|---|---|
| CAS | 4271-99-2 |
| Molecular Weight (g/mol) | 216.189 |
| MDL Number | MFCD00059304 |
| SMILES | COC(=O)CC(=CC(=O)OC)C(=O)OC |
| Synonym | trans-Aconitic Acid Trimethyl Ester |
| IUPAC Name | trimethyl (E)-prop-1-ene-1,2,3-tricarboxylate |
| InChI Key | DZAIBGWGBBQGPZ-GQCTYLIASA-N |
| Molecular Formula | C9H12O6 |