Organic acids and derivatives
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Isoamyl Gallate 98.0+%, TCI America™
CAS: 2486-2-4 Molecular Formula: C12H16O5 Molecular Weight (g/mol): 240.26 MDL Number: MFCD00016431 InChI Key: YBMTWYWCLVMFFD-UHFFFAOYSA-N Synonym: Gallic Acid Isoamyl Ester PubChem CID: 75596 IUPAC Name: 3-methylbutyl 3,4,5-trihydroxybenzoate SMILES: CC(C)CCOC(=O)C1=CC(=C(C(=C1)O)O)O
| PubChem CID | 75596 |
|---|---|
| CAS | 2486-2-4 |
| Molecular Weight (g/mol) | 240.26 |
| MDL Number | MFCD00016431 |
| SMILES | CC(C)CCOC(=O)C1=CC(=C(C(=C1)O)O)O |
| Synonym | Gallic Acid Isoamyl Ester |
| IUPAC Name | 3-methylbutyl 3,4,5-trihydroxybenzoate |
| InChI Key | YBMTWYWCLVMFFD-UHFFFAOYSA-N |
| Molecular Formula | C12H16O5 |
Ethyl 4-Pentenoate 98.0+%, TCI America™
CAS: 1968-40-7 Molecular Formula: C7H12O2 Molecular Weight (g/mol): 128.171 MDL Number: MFCD00036562 InChI Key: PTVSRINJXWDIKP-UHFFFAOYSA-N Synonym: ethyl 4-pentenoate,4-pentenoic acid ethyl ester,4-pentenoic acid, ethyl ester,ethyl pent-4-en-1-oate,unii-210um0f8jp,4-ethoxycarbonylbut-1-ene,pent-4-enoic acid ethyl ester,ethyl allylacetate,ethyl 4-pentenate,ethylpent-4-enoate PubChem CID: 74786 IUPAC Name: ethyl pent-4-enoate SMILES: CCOC(=O)CCC=C
| PubChem CID | 74786 |
|---|---|
| CAS | 1968-40-7 |
| Molecular Weight (g/mol) | 128.171 |
| MDL Number | MFCD00036562 |
| SMILES | CCOC(=O)CCC=C |
| Synonym | ethyl 4-pentenoate,4-pentenoic acid ethyl ester,4-pentenoic acid, ethyl ester,ethyl pent-4-en-1-oate,unii-210um0f8jp,4-ethoxycarbonylbut-1-ene,pent-4-enoic acid ethyl ester,ethyl allylacetate,ethyl 4-pentenate,ethylpent-4-enoate |
| IUPAC Name | ethyl pent-4-enoate |
| InChI Key | PTVSRINJXWDIKP-UHFFFAOYSA-N |
| Molecular Formula | C7H12O2 |
2-Naphthaleneacetic Acid 98.0+%, TCI America™
CAS: 581-96-4 Molecular Formula: C12H10O2 Molecular Weight (g/mol): 186.21 MDL Number: MFCD00004126 InChI Key: VIBOGIYPPWLDTI-UHFFFAOYSA-N Synonym: 2-naphthylacetic acid,2-naphthaleneacetic acid,2-naphthalen-2-yl acetic acid,betoxan,2-2-naphthyl acetic acid,beta-naphthylacetic acid,beta-naphthaleneacetic acid,beta-naphthaleneacetate,naphthalen-2-ylacetic acid,.beta.-naphthaleneacetic acid PubChem CID: 11393 ChEBI: CHEBI:37837 IUPAC Name: 2-(naphthalen-2-yl)acetic acid SMILES: OC(=O)CC1=CC=C2C=CC=CC2=C1
| PubChem CID | 11393 |
|---|---|
| CAS | 581-96-4 |
| Molecular Weight (g/mol) | 186.21 |
| ChEBI | CHEBI:37837 |
| MDL Number | MFCD00004126 |
| SMILES | OC(=O)CC1=CC=C2C=CC=CC2=C1 |
| Synonym | 2-naphthylacetic acid,2-naphthaleneacetic acid,2-naphthalen-2-yl acetic acid,betoxan,2-2-naphthyl acetic acid,beta-naphthylacetic acid,beta-naphthaleneacetic acid,beta-naphthaleneacetate,naphthalen-2-ylacetic acid,.beta.-naphthaleneacetic acid |
| IUPAC Name | 2-(naphthalen-2-yl)acetic acid |
| InChI Key | VIBOGIYPPWLDTI-UHFFFAOYSA-N |
| Molecular Formula | C12H10O2 |
Amyl Formate 95.0+%, TCI America™
CAS: 638-49-3 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00040440 InChI Key: DIQMPQMYFZXDAX-UHFFFAOYSA-N Synonym: Formic Acid Amyl Ester, Pentyl Formate PubChem CID: 12529 IUPAC Name: pentyl formate SMILES: CCCCCOC=O
| PubChem CID | 12529 |
|---|---|
| CAS | 638-49-3 |
| Molecular Weight (g/mol) | 116.16 |
| MDL Number | MFCD00040440 |
| SMILES | CCCCCOC=O |
| Synonym | Formic Acid Amyl Ester, Pentyl Formate |
| IUPAC Name | pentyl formate |
| InChI Key | DIQMPQMYFZXDAX-UHFFFAOYSA-N |
| Molecular Formula | C6H12O2 |
7-Fluoro-4-hydroxyquinazoline 98.0+%, TCI America™
CAS: 16499-57-3 Molecular Formula: C8H5FN2O Molecular Weight (g/mol): 164.139 MDL Number: MFCD05664874 InChI Key: KCORZHJVTZIZFD-UHFFFAOYSA-N Synonym: 7-Fluoro-4-quinazolinone, 7-Fluoro-4-quinazolinol PubChem CID: 7018323 IUPAC Name: 7-fluoro-1H-quinazolin-4-one SMILES: C1=CC2=C(C=C1F)NC=NC2=O
| PubChem CID | 7018323 |
|---|---|
| CAS | 16499-57-3 |
| Molecular Weight (g/mol) | 164.139 |
| MDL Number | MFCD05664874 |
| SMILES | C1=CC2=C(C=C1F)NC=NC2=O |
| Synonym | 7-Fluoro-4-quinazolinone, 7-Fluoro-4-quinazolinol |
| IUPAC Name | 7-fluoro-1H-quinazolin-4-one |
| InChI Key | KCORZHJVTZIZFD-UHFFFAOYSA-N |
| Molecular Formula | C8H5FN2O |
Ethyl Gallate 98.0+%, TCI America™
CAS: 831-61-8 Molecular Formula: C9H10O5 Molecular Weight (g/mol): 198.174 MDL Number: MFCD00016430 InChI Key: VFPFQHQNJCMNBZ-UHFFFAOYSA-N Synonym: ethyl gallate,gallic acid ethyl ester,phyllemblin,nipagallin a,progallin a,ethylgallate,nipa no. 48,gallic acid, ethyl ester,benzoic acid, 3,4,5-trihydroxy-, ethyl ester,nipa 48 PubChem CID: 13250 ChEBI: CHEBI:87247 IUPAC Name: ethyl 3,4,5-trihydroxybenzoate SMILES: CCOC(=O)C1=CC(=C(C(=C1)O)O)O
| PubChem CID | 13250 |
|---|---|
| CAS | 831-61-8 |
| Molecular Weight (g/mol) | 198.174 |
| ChEBI | CHEBI:87247 |
| MDL Number | MFCD00016430 |
| SMILES | CCOC(=O)C1=CC(=C(C(=C1)O)O)O |
| Synonym | ethyl gallate,gallic acid ethyl ester,phyllemblin,nipagallin a,progallin a,ethylgallate,nipa no. 48,gallic acid, ethyl ester,benzoic acid, 3,4,5-trihydroxy-, ethyl ester,nipa 48 |
| IUPAC Name | ethyl 3,4,5-trihydroxybenzoate |
| InChI Key | VFPFQHQNJCMNBZ-UHFFFAOYSA-N |
| Molecular Formula | C9H10O5 |
4-Bromoantipyrine 98.0+%, TCI America™
CAS: 5426-65-3 Molecular Formula: C11H11BrN2O Molecular Weight (g/mol): 267.126 MDL Number: MFCD00020779 InChI Key: QYWWSDVPNCBSIA-UHFFFAOYSA-N PubChem CID: 95032 IUPAC Name: 4-bromo-1,5-dimethyl-2-phenylpyrazol-3-one SMILES: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)Br
| PubChem CID | 95032 |
|---|---|
| CAS | 5426-65-3 |
| Molecular Weight (g/mol) | 267.126 |
| MDL Number | MFCD00020779 |
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)Br |
| IUPAC Name | 4-bromo-1,5-dimethyl-2-phenylpyrazol-3-one |
| InChI Key | QYWWSDVPNCBSIA-UHFFFAOYSA-N |
| Molecular Formula | C11H11BrN2O |
Thiomalic Acid 98.0+%, TCI America™
CAS: 70-49-5 Molecular Formula: C4H6O4S Molecular Weight (g/mol): 150.148 MDL Number: MFCD00004860 InChI Key: NJRXVEJTAYWCQJ-UHFFFAOYSA-N Synonym: mercaptosuccinic acid,thiomalic acid,2-thiomalic acid,2-mercaptosuccinic acid,monomercaptosuccinic acid,butanedioic acid, mercapto,malic acid, 2-thio,mercaptosuccinate,2-sulfanylsuccinic acid,dl-mercaptosuccinic acid PubChem CID: 6268 ChEBI: CHEBI:38705 IUPAC Name: 2-sulfanylbutanedioic acid SMILES: C(C(C(=O)O)S)C(=O)O
| PubChem CID | 6268 |
|---|---|
| CAS | 70-49-5 |
| Molecular Weight (g/mol) | 150.148 |
| ChEBI | CHEBI:38705 |
| MDL Number | MFCD00004860 |
| SMILES | C(C(C(=O)O)S)C(=O)O |
| Synonym | mercaptosuccinic acid,thiomalic acid,2-thiomalic acid,2-mercaptosuccinic acid,monomercaptosuccinic acid,butanedioic acid, mercapto,malic acid, 2-thio,mercaptosuccinate,2-sulfanylsuccinic acid,dl-mercaptosuccinic acid |
| IUPAC Name | 2-sulfanylbutanedioic acid |
| InChI Key | NJRXVEJTAYWCQJ-UHFFFAOYSA-N |
| Molecular Formula | C4H6O4S |
Benzenepentacarboxylic Acid 98.0+%, TCI America™
CAS: 1585-40-6 Molecular Formula: C11H6O10 Molecular Weight (g/mol): 298.159 MDL Number: MFCD00020281 InChI Key: QNSOHXTZPUMONC-UHFFFAOYSA-N PubChem CID: 15314 IUPAC Name: benzene-1,2,3,4,5-pentacarboxylic acid SMILES: C1=C(C(=C(C(=C1C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O
| PubChem CID | 15314 |
|---|---|
| CAS | 1585-40-6 |
| Molecular Weight (g/mol) | 298.159 |
| MDL Number | MFCD00020281 |
| SMILES | C1=C(C(=C(C(=C1C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O |
| IUPAC Name | benzene-1,2,3,4,5-pentacarboxylic acid |
| InChI Key | QNSOHXTZPUMONC-UHFFFAOYSA-N |
| Molecular Formula | C11H6O10 |
Khellin 95.0+%, TCI America™
CAS: 82-02-0 Molecular Formula: C14H12O5 Molecular Weight (g/mol): 260.245 MDL Number: MFCD00005007 InChI Key: HSMPDPBYAYSOBC-UHFFFAOYSA-N Synonym: khellin,visammin,amicardine,methafrone,coronin,amikellin,ammipuran,ammivisnagen,benecardin,corafurone PubChem CID: 3828 ChEBI: CHEBI:6133 IUPAC Name: 4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one SMILES: CC1=CC(=O)C2=C(C3=C(C(=C2O1)OC)OC=C3)OC
| PubChem CID | 3828 |
|---|---|
| CAS | 82-02-0 |
| Molecular Weight (g/mol) | 260.245 |
| ChEBI | CHEBI:6133 |
| MDL Number | MFCD00005007 |
| SMILES | CC1=CC(=O)C2=C(C3=C(C(=C2O1)OC)OC=C3)OC |
| Synonym | khellin,visammin,amicardine,methafrone,coronin,amikellin,ammipuran,ammivisnagen,benecardin,corafurone |
| IUPAC Name | 4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one |
| InChI Key | HSMPDPBYAYSOBC-UHFFFAOYSA-N |
| Molecular Formula | C14H12O5 |
2,2-Dimethylvaleric Acid 98.0+%, TCI America™
CAS: 1185-39-3 Molecular Formula: C7H14O2 Molecular Weight (g/mol): 130.187 MDL Number: MFCD00021686 InChI Key: ZRYCZAWRXHAAPZ-UHFFFAOYSA-N Synonym: 2,2-Dimethylpentanoic Acid PubChem CID: 14455 IUPAC Name: 2,2-dimethylpentanoic acid SMILES: CCCC(C)(C)C(=O)O
| PubChem CID | 14455 |
|---|---|
| CAS | 1185-39-3 |
| Molecular Weight (g/mol) | 130.187 |
| MDL Number | MFCD00021686 |
| SMILES | CCCC(C)(C)C(=O)O |
| Synonym | 2,2-Dimethylpentanoic Acid |
| IUPAC Name | 2,2-dimethylpentanoic acid |
| InChI Key | ZRYCZAWRXHAAPZ-UHFFFAOYSA-N |
| Molecular Formula | C7H14O2 |
5-Quinolinol 98.0+%, TCI America™
CAS: 578-67-6 Molecular Formula: C9H7NO Molecular Weight (g/mol): 145.161 MDL Number: MFCD00006792 InChI Key: GVNQVWJYDXOLST-UHFFFAOYSA-N Synonym: 5-hydroxyquinoline,quinolin-5-ol,5-quinolinol,5-chinolinol,ccris 4330,gyesayhwismzok-uhfffaoysa-n,5-hydroxyquinoline 5-quinolinol,quinolin-5-one,5-hyroxyquinoline,5-hydroxy quinoline PubChem CID: 11360 IUPAC Name: 1H-quinolin-5-one SMILES: C1=CC(=O)C2=CC=CNC2=C1
| PubChem CID | 11360 |
|---|---|
| CAS | 578-67-6 |
| Molecular Weight (g/mol) | 145.161 |
| MDL Number | MFCD00006792 |
| SMILES | C1=CC(=O)C2=CC=CNC2=C1 |
| Synonym | 5-hydroxyquinoline,quinolin-5-ol,5-quinolinol,5-chinolinol,ccris 4330,gyesayhwismzok-uhfffaoysa-n,5-hydroxyquinoline 5-quinolinol,quinolin-5-one,5-hyroxyquinoline,5-hydroxy quinoline |
| IUPAC Name | 1H-quinolin-5-one |
| InChI Key | GVNQVWJYDXOLST-UHFFFAOYSA-N |
| Molecular Formula | C9H7NO |
5-Quinoxalinol 98.0+%, TCI America™
CAS: 17056-99-4 Molecular Formula: C8H6N2O Molecular Weight (g/mol): 146.149 MDL Number: MFCD00972004 InChI Key: YDXPVVWMFFHSPT-UHFFFAOYSA-N Synonym: quinoxalin-5-ol,5-hydroxyquinoxaline,5-quinoxalinol,quinoxaline-5-ol,quinoxalin-5 1h-one,ksc172c0d,zuqddqfxsnxeod-uhfffaoysa-n PubChem CID: 12522983 IUPAC Name: 1H-quinoxalin-5-one SMILES: C1=CC(=O)C2=NC=CNC2=C1
| PubChem CID | 12522983 |
|---|---|
| CAS | 17056-99-4 |
| Molecular Weight (g/mol) | 146.149 |
| MDL Number | MFCD00972004 |
| SMILES | C1=CC(=O)C2=NC=CNC2=C1 |
| Synonym | quinoxalin-5-ol,5-hydroxyquinoxaline,5-quinoxalinol,quinoxaline-5-ol,quinoxalin-5 1h-one,ksc172c0d,zuqddqfxsnxeod-uhfffaoysa-n |
| IUPAC Name | 1H-quinoxalin-5-one |
| InChI Key | YDXPVVWMFFHSPT-UHFFFAOYSA-N |
| Molecular Formula | C8H6N2O |
Isobutyl n-Octanoate 99.0+%, TCI America™
CAS: 5461-06-3 Molecular Formula: C12H24O2 Molecular Weight (g/mol): 200.32 MDL Number: MFCD00059444 InChI Key: CFQRBRGFNFRMBD-UHFFFAOYSA-N Synonym: n-Octanoic Acid Isobutyl Ester PubChem CID: 79582 IUPAC Name: 2-methylpropyl octanoate SMILES: CCCCCCCC(=O)OCC(C)C
| PubChem CID | 79582 |
|---|---|
| CAS | 5461-06-3 |
| Molecular Weight (g/mol) | 200.32 |
| MDL Number | MFCD00059444 |
| SMILES | CCCCCCCC(=O)OCC(C)C |
| Synonym | n-Octanoic Acid Isobutyl Ester |
| IUPAC Name | 2-methylpropyl octanoate |
| InChI Key | CFQRBRGFNFRMBD-UHFFFAOYSA-N |
| Molecular Formula | C12H24O2 |
O-[(Ethoxycarbonyl)cyanomethylenamino]-N,N,N',N'-tetramethyluronium Hexafluorophosphate 98.0+%, TCI America™
CAS: 333717-40-1 Molecular Formula: C10H17F6N4O3P Molecular Weight (g/mol): 386.235 MDL Number: MFCD01862832 InChI Key: RKTBAMPZUATMIO-JCTPKUEWSA-N Synonym: HOTU PubChem CID: 57416861 IUPAC Name: [[(Z)-(1-cyano-2-ethoxy-2-oxoethylidene)amino]oxy-(dimethylamino)methylidene]-dimethylazanium;hexafluorophosphate SMILES: CCOC(=O)C(=NOC(=[N+](C)C)N(C)C)C#N.F[P-](F)(F)(F)(F)F
| PubChem CID | 57416861 |
|---|---|
| CAS | 333717-40-1 |
| Molecular Weight (g/mol) | 386.235 |
| MDL Number | MFCD01862832 |
| SMILES | CCOC(=O)C(=NOC(=[N+](C)C)N(C)C)C#N.F[P-](F)(F)(F)(F)F |
| Synonym | HOTU |
| IUPAC Name | [[(Z)-(1-cyano-2-ethoxy-2-oxoethylidene)amino]oxy-(dimethylamino)methylidene]-dimethylazanium;hexafluorophosphate |
| InChI Key | RKTBAMPZUATMIO-JCTPKUEWSA-N |
| Molecular Formula | C10H17F6N4O3P |