Carboxylic acids and derivatives
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1,2,3,4-Cyclopentanetetracarboxylic Acid 98.0+%, TCI America™
CAS: 3724-52-5 Molecular Formula: C9H10O8 Molecular Weight (g/mol): 246.171 MDL Number: MFCD00001377 InChI Key: WOSVXXBNNCUXMT-UHFFFAOYSA-N PubChem CID: 19622 IUPAC Name: cyclopentane-1,2,3,4-tetracarboxylic acid SMILES: C1C(C(C(C1C(=O)O)C(=O)O)C(=O)O)C(=O)O
| PubChem CID | 19622 |
|---|---|
| CAS | 3724-52-5 |
| Molecular Weight (g/mol) | 246.171 |
| MDL Number | MFCD00001377 |
| SMILES | C1C(C(C(C1C(=O)O)C(=O)O)C(=O)O)C(=O)O |
| IUPAC Name | cyclopentane-1,2,3,4-tetracarboxylic acid |
| InChI Key | WOSVXXBNNCUXMT-UHFFFAOYSA-N |
| Molecular Formula | C9H10O8 |
RPI 1 95.0+%, TCI America™
CAS: 269730-03-2 Molecular Formula: C17H15NO4 Molecular Weight (g/mol): 297.31 MDL Number: MFCD03852474 InChI Key: JGSMCYNBVCGIHC-UHFFFAOYSA-N Synonym: 1,3-Dihydro-5,6-dimethoxy-3-[(4-hydroxyphenyl)methylene]-1H-indol-2-one, 3-(4-Hydroxybenzylidene)-5,6-dimethoxyindolin-2-one PubChem CID: 1749978 IUPAC Name: 3-[(4-hydroxyphenyl)methylidene]-5,6-dimethoxy-2,3-dihydro-1H-indol-2-one SMILES: COC1=C(OC)C=C2C(NC(=O)C2=CC2=CC=C(O)C=C2)=C1
| PubChem CID | 1749978 |
|---|---|
| CAS | 269730-03-2 |
| Molecular Weight (g/mol) | 297.31 |
| MDL Number | MFCD03852474 |
| SMILES | COC1=C(OC)C=C2C(NC(=O)C2=CC2=CC=C(O)C=C2)=C1 |
| Synonym | 1,3-Dihydro-5,6-dimethoxy-3-[(4-hydroxyphenyl)methylene]-1H-indol-2-one, 3-(4-Hydroxybenzylidene)-5,6-dimethoxyindolin-2-one |
| IUPAC Name | 3-[(4-hydroxyphenyl)methylidene]-5,6-dimethoxy-2,3-dihydro-1H-indol-2-one |
| InChI Key | JGSMCYNBVCGIHC-UHFFFAOYSA-N |
| Molecular Formula | C17H15NO4 |
Tamoxifen Citrate 98.0+%, TCI America™
CAS: 54965-24-1 Molecular Formula: C32H37NO8 Molecular Weight (g/mol): 563.65 MDL Number: MFCD00058321 InChI Key: FQZYTYWMLGAPFJ-OQKDUQJOSA-N Synonym: tamoxifen citrate,istubal,zitazonium,unii-7frv7310n6,i.c.i. 46474 citrate,tamoxifen citrate salt,farmifeno,ginarsan,jenoxifen PubChem CID: 2733525 ChEBI: CHEBI:9397 IUPAC Name: (2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethyl)dimethylamine; 2-hydroxypropane-1,2,3-tricarboxylic acid SMILES: OC(=O)CC(O)(CC(O)=O)C(O)=O.CC\C(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1
| PubChem CID | 2733525 |
|---|---|
| CAS | 54965-24-1 |
| Molecular Weight (g/mol) | 563.65 |
| ChEBI | CHEBI:9397 |
| MDL Number | MFCD00058321 |
| SMILES | OC(=O)CC(O)(CC(O)=O)C(O)=O.CC\C(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1 |
| Synonym | tamoxifen citrate,istubal,zitazonium,unii-7frv7310n6,i.c.i. 46474 citrate,tamoxifen citrate salt,farmifeno,ginarsan,jenoxifen |
| IUPAC Name | (2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethyl)dimethylamine; 2-hydroxypropane-1,2,3-tricarboxylic acid |
| InChI Key | FQZYTYWMLGAPFJ-OQKDUQJOSA-N |
| Molecular Formula | C32H37NO8 |
3-Methyl-2(5H)-furanone 97.0+%, TCI America™
CAS: 22122-36-7 Molecular Formula: C5H6O2 Molecular Weight (g/mol): 98.101 MDL Number: MFCD00191545 InChI Key: VGHBEMPMIVEGJP-UHFFFAOYSA-N Synonym: 4-Hydroxy-2-methyl-2-butenoic Acid gamma-Lactone PubChem CID: 30945 IUPAC Name: 4-methyl-2H-furan-5-one SMILES: CC1=CCOC1=O
| PubChem CID | 30945 |
|---|---|
| CAS | 22122-36-7 |
| Molecular Weight (g/mol) | 98.101 |
| MDL Number | MFCD00191545 |
| SMILES | CC1=CCOC1=O |
| Synonym | 4-Hydroxy-2-methyl-2-butenoic Acid gamma-Lactone |
| IUPAC Name | 4-methyl-2H-furan-5-one |
| InChI Key | VGHBEMPMIVEGJP-UHFFFAOYSA-N |
| Molecular Formula | C5H6O2 |
Isoamyl Angelate 99.0+%, TCI America™
CAS: 10482-55-0 Molecular Formula: C10H18O2 Molecular Weight (g/mol): 170.25 MDL Number: MFCD00213789 InChI Key: ZARFDQHJMNVNLE-UITAMQMPSA-N Synonym: Angelic Acid Isoamyl Ester, Isoamyl (Z)-2-Methyl-2-butenoate, (Z)-2-Methyl-2-butenoic Acid Isoamyl Ester PubChem CID: 5366155 IUPAC Name: 3-methylbutyl (2Z)-2-methylbut-2-enoate SMILES: C\C=C(\C)C(=O)OCCC(C)C
| PubChem CID | 5366155 |
|---|---|
| CAS | 10482-55-0 |
| Molecular Weight (g/mol) | 170.25 |
| MDL Number | MFCD00213789 |
| SMILES | C\C=C(\C)C(=O)OCCC(C)C |
| Synonym | Angelic Acid Isoamyl Ester, Isoamyl (Z)-2-Methyl-2-butenoate, (Z)-2-Methyl-2-butenoic Acid Isoamyl Ester |
| IUPAC Name | 3-methylbutyl (2Z)-2-methylbut-2-enoate |
| InChI Key | ZARFDQHJMNVNLE-UITAMQMPSA-N |
| Molecular Formula | C10H18O2 |
2-Ethylhexyl 3-Mercaptopropionate 98.0+%, TCI America™
CAS: 50448-95-8 Molecular Formula: C11H22O2S Molecular Weight (g/mol): 218.355 MDL Number: MFCD00087933 InChI Key: SUODCTNNAKSRHB-UHFFFAOYSA-N Synonym: 3-Mercaptopropionic Acid 2-Ethylhexyl Ester, 3-Mercaptopropionic Acid Octyl Ester, 2-Octyl 3-Mercaptopropionate PubChem CID: 92640 IUPAC Name: 2-ethylhexyl 3-sulfanylpropanoate SMILES: CCCCC(CC)COC(=O)CCS
| PubChem CID | 92640 |
|---|---|
| CAS | 50448-95-8 |
| Molecular Weight (g/mol) | 218.355 |
| MDL Number | MFCD00087933 |
| SMILES | CCCCC(CC)COC(=O)CCS |
| Synonym | 3-Mercaptopropionic Acid 2-Ethylhexyl Ester, 3-Mercaptopropionic Acid Octyl Ester, 2-Octyl 3-Mercaptopropionate |
| IUPAC Name | 2-ethylhexyl 3-sulfanylpropanoate |
| InChI Key | SUODCTNNAKSRHB-UHFFFAOYSA-N |
| Molecular Formula | C11H22O2S |
4-tert-Butylcyclohexyl Acetate (cis- and trans- mixture) 96.0+%, TCI America™
CAS: 32210-23-4 Molecular Formula: C12H22O2 Molecular Weight (g/mol): 198.31 MDL Number: MFCD00019354 InChI Key: MBZRJSQZCBXRGK-UHFFFAOYSA-N Synonym: Acetic Acid 4-tert-Butylcyclohexyl Ester PubChem CID: 36081 IUPAC Name: 4-tert-butylcyclohexyl acetate SMILES: CC(=O)OC1CCC(CC1)C(C)(C)C
| PubChem CID | 36081 |
|---|---|
| CAS | 32210-23-4 |
| Molecular Weight (g/mol) | 198.31 |
| MDL Number | MFCD00019354 |
| SMILES | CC(=O)OC1CCC(CC1)C(C)(C)C |
| Synonym | Acetic Acid 4-tert-Butylcyclohexyl Ester |
| IUPAC Name | 4-tert-butylcyclohexyl acetate |
| InChI Key | MBZRJSQZCBXRGK-UHFFFAOYSA-N |
| Molecular Formula | C12H22O2 |
Acetamidomethanol 96.0+%, TCI America™
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 |
1,3,4,6-Tetra-O-acetyl-2-azido-2-deoxy-alpha-D-galactopyranose, TCI America™
CAS: 67817-30-5 Molecular Formula: C14H19N3O9 Molecular Weight (g/mol): 373.32 MDL Number: MFCD01076182,MFCD01076182,MFCD01076183,MFCD31814465 InChI Key: QKGHBQJLEHAMKJ-UHFFFAOYNA-N PubChem CID: 12821201 IUPAC Name: [3,4,6-tris(acetyloxy)-5-azidooxan-2-yl]methyl acetate SMILES: CC(=O)OCC1OC(OC(C)=O)C(N=[N+]=[N-])C(OC(C)=O)C1OC(C)=O
| PubChem CID | 12821201 |
|---|---|
| CAS | 67817-30-5 |
| Molecular Weight (g/mol) | 373.32 |
| MDL Number | MFCD01076182,MFCD01076182,MFCD01076183,MFCD31814465 |
| SMILES | CC(=O)OCC1OC(OC(C)=O)C(N=[N+]=[N-])C(OC(C)=O)C1OC(C)=O |
| IUPAC Name | [3,4,6-tris(acetyloxy)-5-azidooxan-2-yl]methyl acetate |
| InChI Key | QKGHBQJLEHAMKJ-UHFFFAOYNA-N |
| Molecular Formula | C14H19N3O9 |
N-(2-Chloroethyl)acetamide 98.0+%, TCI America™
CAS: 7355-58-0 Molecular Formula: C4H8ClNO Molecular Weight (g/mol): 121.564 MDL Number: MFCD00000965 InChI Key: HSKNJSHFPPHTAQ-UHFFFAOYSA-N Synonym: n-2-chloroethyl acetamide,acetamide, n-2-chloroethyl,n-2-chloro-ethyl-acetamide,n-acetyl-2-chloroethylamine,n 2-chloroethyl acetamide,n-acetyl-ss-chlorathylamin,acmc-1bi05,n-2-chloroethyl-acetamide,4-04-00-00449 beilstein handbook reference PubChem CID: 81815 IUPAC Name: N-(2-chloroethyl)acetamide SMILES: CC(=O)NCCCl
| PubChem CID | 81815 |
|---|---|
| CAS | 7355-58-0 |
| Molecular Weight (g/mol) | 121.564 |
| MDL Number | MFCD00000965 |
| SMILES | CC(=O)NCCCl |
| Synonym | n-2-chloroethyl acetamide,acetamide, n-2-chloroethyl,n-2-chloro-ethyl-acetamide,n-acetyl-2-chloroethylamine,n 2-chloroethyl acetamide,n-acetyl-ss-chlorathylamin,acmc-1bi05,n-2-chloroethyl-acetamide,4-04-00-00449 beilstein handbook reference |
| IUPAC Name | N-(2-chloroethyl)acetamide |
| InChI Key | HSKNJSHFPPHTAQ-UHFFFAOYSA-N |
| Molecular Formula | C4H8ClNO |
1-Cyano-2-propenyl Acetate 97.0+%, TCI America™
CAS: 15667-63-7 Molecular Formula: C6H7NO2 Molecular Weight (g/mol): 125.127 MDL Number: MFCD00010336 InChI Key: MEHLEOUIWVWVBF-UHFFFAOYSA-N Synonym: Acetic Acid 1-Cyano-2-propenyl Ester, DL-2-Acetoxy-3-butenenitrile, 1-Cyanoallyl Acetate PubChem CID: 85891 IUPAC Name: 1-cyanoprop-2-enyl acetate SMILES: CC(=O)OC(C=C)C#N
| PubChem CID | 85891 |
|---|---|
| CAS | 15667-63-7 |
| Molecular Weight (g/mol) | 125.127 |
| MDL Number | MFCD00010336 |
| SMILES | CC(=O)OC(C=C)C#N |
| Synonym | Acetic Acid 1-Cyano-2-propenyl Ester, DL-2-Acetoxy-3-butenenitrile, 1-Cyanoallyl Acetate |
| IUPAC Name | 1-cyanoprop-2-enyl acetate |
| InChI Key | MEHLEOUIWVWVBF-UHFFFAOYSA-N |
| Molecular Formula | C6H7NO2 |
Methyl 3-Bromopropionate 99.0+%, TCI America™
CAS: 3395-91-3 Molecular Formula: C4H7BrO2 Molecular Weight (g/mol): 167.00 MDL Number: MFCD00000250 InChI Key: KQEVIFKPZOGBMZ-UHFFFAOYSA-N Synonym: methyl 3-bromopropionate,propanoic acid, 3-bromo-, methyl ester,methyl beta-bromopropionate,3-bromopropionic acid methyl ester,propionic acid, 3-bromo-, methyl ester,3-bromopropanoic acid methyl ester,unii-y803ch1p4w,beta-bromopropionic acid, methyl ester,methyl .beta.-bromopropionate,3-bromo-propionic acid methyl ester PubChem CID: 76934 IUPAC Name: methyl 3-bromopropanoate SMILES: COC(=O)CCBr
| PubChem CID | 76934 |
|---|---|
| CAS | 3395-91-3 |
| Molecular Weight (g/mol) | 167.00 |
| MDL Number | MFCD00000250 |
| SMILES | COC(=O)CCBr |
| Synonym | methyl 3-bromopropionate,propanoic acid, 3-bromo-, methyl ester,methyl beta-bromopropionate,3-bromopropionic acid methyl ester,propionic acid, 3-bromo-, methyl ester,3-bromopropanoic acid methyl ester,unii-y803ch1p4w,beta-bromopropionic acid, methyl ester,methyl .beta.-bromopropionate,3-bromo-propionic acid methyl ester |
| IUPAC Name | methyl 3-bromopropanoate |
| InChI Key | KQEVIFKPZOGBMZ-UHFFFAOYSA-N |
| Molecular Formula | C4H7BrO2 |
Isopropyl Linoleate 60.0+%, TCI America™
CAS: 22882-95-7 Molecular Formula: C21H38O2 Molecular Weight (g/mol): 322.533 MDL Number: MFCD00053809 InChI Key: XEIOPEQGDSYOIH-MVKOLZDDSA-N Synonym: Linoleic Acid Isopropyl Ester PubChem CID: 13647303 IUPAC Name: propan-2-yl (9E,12E)-octadeca-9,12-dienoate SMILES: CCCCCC=CCC=CCCCCCCCC(=O)OC(C)C
| PubChem CID | 13647303 |
|---|---|
| CAS | 22882-95-7 |
| Molecular Weight (g/mol) | 322.533 |
| MDL Number | MFCD00053809 |
| SMILES | CCCCCC=CCC=CCCCCCCCC(=O)OC(C)C |
| Synonym | Linoleic Acid Isopropyl Ester |
| IUPAC Name | propan-2-yl (9E,12E)-octadeca-9,12-dienoate |
| InChI Key | XEIOPEQGDSYOIH-MVKOLZDDSA-N |
| Molecular Formula | C21H38O2 |
N-n-Octylformamide 98.0+%, TCI America™
CAS: 6282-06-0 Molecular Formula: C9H19NO Molecular Weight (g/mol): 157.26 MDL Number: MFCD06252343 InChI Key: ZBWPKQRQZDZVSF-UHFFFAOYSA-N PubChem CID: 221394 IUPAC Name: N-octylformamide SMILES: CCCCCCCCNC=O
| PubChem CID | 221394 |
|---|---|
| CAS | 6282-06-0 |
| Molecular Weight (g/mol) | 157.26 |
| MDL Number | MFCD06252343 |
| SMILES | CCCCCCCCNC=O |
| IUPAC Name | N-octylformamide |
| InChI Key | ZBWPKQRQZDZVSF-UHFFFAOYSA-N |
| Molecular Formula | C9H19NO |
Acetoxy-2-propanone (stabilized with Mg6Al2(OH)16CO3.4H2O) 97.0+%, TCI America™
CAS: 592-20-1 Molecular Formula: C5H8O3 Molecular Weight (g/mol): 116.116 MDL Number: MFCD00042848 InChI Key: DBERHVIZRVGDFO-UHFFFAOYSA-N Synonym: acetoxyacetone,acetonyl acetate,acetol acetate,2-propanone, 1-acetyloxy,acetoxypropanone,o-acetylacetol,1-acetoxyacetone,acetylmethyl acetate,acetoxy-2-propanone,1-acetoxy-2-propanone PubChem CID: 11593 IUPAC Name: 2-oxopropyl acetate SMILES: CC(=O)COC(=O)C
| PubChem CID | 11593 |
|---|---|
| CAS | 592-20-1 |
| Molecular Weight (g/mol) | 116.116 |
| MDL Number | MFCD00042848 |
| SMILES | CC(=O)COC(=O)C |
| Synonym | acetoxyacetone,acetonyl acetate,acetol acetate,2-propanone, 1-acetyloxy,acetoxypropanone,o-acetylacetol,1-acetoxyacetone,acetylmethyl acetate,acetoxy-2-propanone,1-acetoxy-2-propanone |
| IUPAC Name | 2-oxopropyl acetate |
| InChI Key | DBERHVIZRVGDFO-UHFFFAOYSA-N |
| Molecular Formula | C5H8O3 |