
Carboxylic acids and derivatives















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Ethyl palmitate, 97%
CAS: 628-97-7 Molecular Formula: C18H36O2 Molecular Weight (g/mol): 284.48 MDL Number: MFCD00008996 InChI Key: XIRNKXNNONJFQO-UHFFFAOYSA-N Synonym: ethyl palmitate,hexadecanoic acid, ethyl ester,palmitic acid ethyl ester,ethyl cetylate,palmitic acid, ethyl ester,ethylpalmitate,unii-ird3m534zm,hexadecanoic acid ethyl ester,ethyl n-hexadecanoate,ird3m534zm PubChem CID: 12366 ChEBI: CHEBI:84932 IUPAC Name: ethyl hexadecanoate SMILES: CCCCCCCCCCCCCCCC(=O)OCC
PubChem CID | 12366 |
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CAS | 628-97-7 |
Molecular Weight (g/mol) | 284.48 |
ChEBI | CHEBI:84932 |
MDL Number | MFCD00008996 |
SMILES | CCCCCCCCCCCCCCCC(=O)OCC |
Synonym | ethyl palmitate,hexadecanoic acid, ethyl ester,palmitic acid ethyl ester,ethyl cetylate,palmitic acid, ethyl ester,ethylpalmitate,unii-ird3m534zm,hexadecanoic acid ethyl ester,ethyl n-hexadecanoate,ird3m534zm |
IUPAC Name | ethyl hexadecanoate |
InChI Key | XIRNKXNNONJFQO-UHFFFAOYSA-N |
Molecular Formula | C18H36O2 |
1,3,5-Benzenetricarboxylic acid, 98%
CAS: 554-95-0 Molecular Formula: C9H6O6 Molecular Weight (g/mol): 210.14 MDL Number: MFCD00002517 InChI Key: QMKYBPDZANOJGF-UHFFFAOYSA-N Synonym: trimesic acid,1,3,5-benzenetricarboxylic acid,trimesinic acid,trimesitinic acid,5-carboxyisophthalic acid,1,3,5-benzene tricarboxylic acid,1,3,5-tricarboxybenzene,unii-ou36oo5mtn,ou36oo5mtn,chembl77562 PubChem CID: 11138 ChEBI: CHEBI:46032 IUPAC Name: benzene-1,3,5-tricarboxylic acid SMILES: OC(=O)C1=CC(=CC(=C1)C(O)=O)C(O)=O
PubChem CID | 11138 |
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CAS | 554-95-0 |
Molecular Weight (g/mol) | 210.14 |
ChEBI | CHEBI:46032 |
MDL Number | MFCD00002517 |
SMILES | OC(=O)C1=CC(=CC(=C1)C(O)=O)C(O)=O |
Synonym | trimesic acid,1,3,5-benzenetricarboxylic acid,trimesinic acid,trimesitinic acid,5-carboxyisophthalic acid,1,3,5-benzene tricarboxylic acid,1,3,5-tricarboxybenzene,unii-ou36oo5mtn,ou36oo5mtn,chembl77562 |
IUPAC Name | benzene-1,3,5-tricarboxylic acid |
InChI Key | QMKYBPDZANOJGF-UHFFFAOYSA-N |
Molecular Formula | C9H6O6 |
Ethyl 3-hexenoate, 98%
CAS: 2396-83-0 Molecular Formula: C8H14O2 Molecular Weight (g/mol): 142.20 MDL Number: MFCD00036524 InChI Key: VTSFIPHRNAESED-AATRIKPKSA-N Synonym: ethyl 3-hexenoate,3-hexenoic acid, ethyl ester,ethyl hex-3-enoate,ethyl e-hex-3-enoate,3-hexenoic acid, ethyl ester, e,ethyl trans-3-hexenoate,ethyl e-3-hexenoate,e-3-hexenoic acid ethyl ester,ethyl hydrosorbate,3-hexenoic acid, ethyl ester, 3e PubChem CID: 5362622 IUPAC Name: ethyl (E)-hex-3-enoate SMILES: CCOC(=O)C\C=C\CC
PubChem CID | 5362622 |
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CAS | 2396-83-0 |
Molecular Weight (g/mol) | 142.20 |
MDL Number | MFCD00036524 |
SMILES | CCOC(=O)C\C=C\CC |
Synonym | ethyl 3-hexenoate,3-hexenoic acid, ethyl ester,ethyl hex-3-enoate,ethyl e-hex-3-enoate,3-hexenoic acid, ethyl ester, e,ethyl trans-3-hexenoate,ethyl e-3-hexenoate,e-3-hexenoic acid ethyl ester,ethyl hydrosorbate,3-hexenoic acid, ethyl ester, 3e |
IUPAC Name | ethyl (E)-hex-3-enoate |
InChI Key | VTSFIPHRNAESED-AATRIKPKSA-N |
Molecular Formula | C8H14O2 |
n-Butyl propionate, 99%
CAS: 590-01-2 Molecular Formula: C7H14O2 Molecular Weight (g/mol): 130.187 MDL Number: MFCD00009448 InChI Key: BTMVHUNTONAYDX-UHFFFAOYSA-N Synonym: butyl propionate,n-butyl propionate,propanoic acid, butyl ester,n-butyl propanoate,propionic acid, butyl ester,propionic acid butyl ester,unii-2nxc4ak99e,butyl propionate natural,fema no. 2211,n-butyl n-propionate PubChem CID: 11529 IUPAC Name: butyl propanoate SMILES: CCCCOC(=O)CC
PubChem CID | 11529 |
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CAS | 590-01-2 |
Molecular Weight (g/mol) | 130.187 |
MDL Number | MFCD00009448 |
SMILES | CCCCOC(=O)CC |
Synonym | butyl propionate,n-butyl propionate,propanoic acid, butyl ester,n-butyl propanoate,propionic acid, butyl ester,propionic acid butyl ester,unii-2nxc4ak99e,butyl propionate natural,fema no. 2211,n-butyl n-propionate |
IUPAC Name | butyl propanoate |
InChI Key | BTMVHUNTONAYDX-UHFFFAOYSA-N |
Molecular Formula | C7H14O2 |
3-Cyclopentylpropionic acid, 98%
CAS: 140-77-2 Molecular Formula: C8H14O2 Molecular Weight (g/mol): 142.20 MDL Number: MFCD00001392 InChI Key: ZRPLANDPDWYOMZ-UHFFFAOYSA-N Synonym: 3-cyclopentylpropionic acid,cyclopentanepropanoic acid,cyclopentanepropionic acid,3-cylcopentylpropanoic acid,cyclopentylpropionic acid,propionic acid, 3-cyclopentyl,3-cyclopentyl-propionic acid,cypionic acid,3-cyclopentylpropionicacid,cipionate PubChem CID: 8818 ChEBI: CHEBI:50899 IUPAC Name: 3-cyclopentylpropanoic acid SMILES: OC(=O)CCC1CCCC1
PubChem CID | 8818 |
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CAS | 140-77-2 |
Molecular Weight (g/mol) | 142.20 |
ChEBI | CHEBI:50899 |
MDL Number | MFCD00001392 |
SMILES | OC(=O)CCC1CCCC1 |
Synonym | 3-cyclopentylpropionic acid,cyclopentanepropanoic acid,cyclopentanepropionic acid,3-cylcopentylpropanoic acid,cyclopentylpropionic acid,propionic acid, 3-cyclopentyl,3-cyclopentyl-propionic acid,cypionic acid,3-cyclopentylpropionicacid,cipionate |
IUPAC Name | 3-cyclopentylpropanoic acid |
InChI Key | ZRPLANDPDWYOMZ-UHFFFAOYSA-N |
Molecular Formula | C8H14O2 |
DL-2-Hydroxybutyric acid sodium salt, 97+%
CAS: 5094-24-6 Molecular Formula: C4H7NaO3 Molecular Weight (g/mol): 126.09 MDL Number: MFCD00004565 InChI Key: MOSCXNXKSOHVSQ-UHFFFAOYNA-M Synonym: sodium 2-hydroxybutanoate,sodiumdl-2-hydroxybutyrate,sodium dl-2-hydroxybutyrate,sodium dl-2-hydroxybutyrate,dl-2-hydroxybutyric acid sodium salt,dl-2-hydroxybutyric acid sodium salt,acmc-1btqj,acmc-1btqj,a-hydroxybutyrate,a-hydroxybutyrate,sodium 2-oxidanylbutanoate PubChem CID: 23663641 IUPAC Name: sodium;2-hydroxybutanoate SMILES: [Na+].CCC(O)C([O-])=O
PubChem CID | 23663641 |
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CAS | 5094-24-6 |
Molecular Weight (g/mol) | 126.09 |
MDL Number | MFCD00004565 |
SMILES | [Na+].CCC(O)C([O-])=O |
Synonym | sodium 2-hydroxybutanoate,sodiumdl-2-hydroxybutyrate,sodium dl-2-hydroxybutyrate,sodium dl-2-hydroxybutyrate,dl-2-hydroxybutyric acid sodium salt,dl-2-hydroxybutyric acid sodium salt,acmc-1btqj,acmc-1btqj,a-hydroxybutyrate,a-hydroxybutyrate,sodium 2-oxidanylbutanoate |
IUPAC Name | sodium;2-hydroxybutanoate |
InChI Key | MOSCXNXKSOHVSQ-UHFFFAOYNA-M |
Molecular Formula | C4H7NaO3 |
Isovaleric acid, 98%
CAS: 503-74-2 Molecular Formula: C5H10O2 Molecular Weight (g/mol): 102.13 MDL Number: MFCD00002726 InChI Key: GWYFCOCPABKNJV-UHFFFAOYSA-N Synonym: isovaleric acid,isopentanoic acid,3-methylbutyric acid,delphinic acid,isopropylacetic acid,butanoic acid, 3-methyl,isovalerianic acid,isobutylformic acid,3-methylbutyrate,beta-methylbutyric acid PubChem CID: 10430 ChEBI: CHEBI:28484 IUPAC Name: 3-methylbutanoic acid SMILES: CC(C)CC(O)=O
PubChem CID | 10430 |
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CAS | 503-74-2 |
Molecular Weight (g/mol) | 102.13 |
ChEBI | CHEBI:28484 |
MDL Number | MFCD00002726 |
SMILES | CC(C)CC(O)=O |
Synonym | isovaleric acid,isopentanoic acid,3-methylbutyric acid,delphinic acid,isopropylacetic acid,butanoic acid, 3-methyl,isovalerianic acid,isobutylformic acid,3-methylbutyrate,beta-methylbutyric acid |
IUPAC Name | 3-methylbutanoic acid |
InChI Key | GWYFCOCPABKNJV-UHFFFAOYSA-N |
Molecular Formula | C5H10O2 |
cis-3-Hexenyl acetate, 98+%
CAS: 3681-71-8 Molecular Formula: C8H14O2 Molecular Weight (g/mol): 142.198 MDL Number: MFCD00036563 InChI Key: NPFVOOAXDOBMCE-PLNGDYQASA-N Synonym: cis-3-hexenyl acetate,z-3-hexenyl acetate,z-hex-3-enyl acetate,3-hexenylacetate,cis-3-hexenyl ethanoate,cis-3-hexen-1-yl acetate,leaf acetate,3-hexen-1-ol, acetate, z,cis-3-hexenol acetate,3z-hex-3-en-1-yl acetate PubChem CID: 5363388 ChEBI: CHEBI:61316 IUPAC Name: [(Z)-hex-3-enyl] acetate SMILES: CCC=CCCOC(=O)C
PubChem CID | 5363388 |
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CAS | 3681-71-8 |
Molecular Weight (g/mol) | 142.198 |
ChEBI | CHEBI:61316 |
MDL Number | MFCD00036563 |
SMILES | CCC=CCCOC(=O)C |
Synonym | cis-3-hexenyl acetate,z-3-hexenyl acetate,z-hex-3-enyl acetate,3-hexenylacetate,cis-3-hexenyl ethanoate,cis-3-hexen-1-yl acetate,leaf acetate,3-hexen-1-ol, acetate, z,cis-3-hexenol acetate,3z-hex-3-en-1-yl acetate |
IUPAC Name | [(Z)-hex-3-enyl] acetate |
InChI Key | NPFVOOAXDOBMCE-PLNGDYQASA-N |
Molecular Formula | C8H14O2 |
1-Methylcyclohexanecarboxylic acid, 99%
CAS: 1123-25-7 Molecular Formula: C8H14O2 Molecular Weight (g/mol): 142.198 MDL Number: MFCD00001463 InChI Key: REHQLKUNRPCYEW-UHFFFAOYSA-N Synonym: 1-methylcyclohexanecarboxylic acid,1-methyl-1-cyclohexanecarboxylic acid,1-methylcyclohexylcarboxylic acid,1-methylcyclohexanoic acid,cyclohexanecarboxylic acid, 1-methyl,1-methyl-1-cyclohexanoic acid,1-methyl-cyclohexanecarboxylic acid,cyclohexanecarboxylic acid, methyl,acmc-2099ec,4-09-00-00041 beilstein handbook reference PubChem CID: 70744 IUPAC Name: 1-methylcyclohexane-1-carboxylic acid SMILES: CC1(CCCCC1)C(=O)O
PubChem CID | 70744 |
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CAS | 1123-25-7 |
Molecular Weight (g/mol) | 142.198 |
MDL Number | MFCD00001463 |
SMILES | CC1(CCCCC1)C(=O)O |
Synonym | 1-methylcyclohexanecarboxylic acid,1-methyl-1-cyclohexanecarboxylic acid,1-methylcyclohexylcarboxylic acid,1-methylcyclohexanoic acid,cyclohexanecarboxylic acid, 1-methyl,1-methyl-1-cyclohexanoic acid,1-methyl-cyclohexanecarboxylic acid,cyclohexanecarboxylic acid, methyl,acmc-2099ec,4-09-00-00041 beilstein handbook reference |
IUPAC Name | 1-methylcyclohexane-1-carboxylic acid |
InChI Key | REHQLKUNRPCYEW-UHFFFAOYSA-N |
Molecular Formula | C8H14O2 |
Tricarballylic acid, 98%
CAS: 99-14-9 Molecular Formula: C6H8O6 Molecular Weight (g/mol): 176.12 MDL Number: MFCD00002723 InChI Key: KQTIIICEAUMSDG-UHFFFAOYSA-N Synonym: tricarballylic acid,1,2,3-propanetricarboxylic acid,carballylic acid,tricarballylate,beta-carboxyglutaric acid,propane 1,2,3-tricarboxylic acid,unii-ra5qh2j020,3-carboxyglutaric acid,.beta.-carboxyglutaric acid,1,2,3-propanetricarboxylicacid PubChem CID: 14925 ChEBI: CHEBI:45969 IUPAC Name: propane-1,2,3-tricarboxylic acid SMILES: OC(=O)CC(CC(O)=O)C(O)=O
PubChem CID | 14925 |
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CAS | 99-14-9 |
Molecular Weight (g/mol) | 176.12 |
ChEBI | CHEBI:45969 |
MDL Number | MFCD00002723 |
SMILES | OC(=O)CC(CC(O)=O)C(O)=O |
Synonym | tricarballylic acid,1,2,3-propanetricarboxylic acid,carballylic acid,tricarballylate,beta-carboxyglutaric acid,propane 1,2,3-tricarboxylic acid,unii-ra5qh2j020,3-carboxyglutaric acid,.beta.-carboxyglutaric acid,1,2,3-propanetricarboxylicacid |
IUPAC Name | propane-1,2,3-tricarboxylic acid |
InChI Key | KQTIIICEAUMSDG-UHFFFAOYSA-N |
Molecular Formula | C6H8O6 |
1H-Imidazole-2-carboxylic acid, 97%, Thermo Scientific™
CAS: 16042-25-4 Molecular Formula: C4H4N2O2 Molecular Weight (g/mol): 112.088 InChI Key: KYWMCFOWDYFYLV-UHFFFAOYSA-N Synonym: 2-imidazolecarboxylic acid,imidazole-2-carboxylic acid,unii-o9g6515vc1,1h-imidazolecarboxylic acid,2-imidazolecarboxylicacid,2-imidazocarboxylic acid,1h-imidazole-2-carboxylicacid,imidazolecarboxylic,acmc-1avrt,2-carboxy-1h-imidazole PubChem CID: 574321 IUPAC Name: 1H-imidazole-2-carboxylic acid SMILES: C1=CN=C(N1)C(=O)O
PubChem CID | 574321 |
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CAS | 16042-25-4 |
Molecular Weight (g/mol) | 112.088 |
SMILES | C1=CN=C(N1)C(=O)O |
Synonym | 2-imidazolecarboxylic acid,imidazole-2-carboxylic acid,unii-o9g6515vc1,1h-imidazolecarboxylic acid,2-imidazolecarboxylicacid,2-imidazocarboxylic acid,1h-imidazole-2-carboxylicacid,imidazolecarboxylic,acmc-1avrt,2-carboxy-1h-imidazole |
IUPAC Name | 1H-imidazole-2-carboxylic acid |
InChI Key | KYWMCFOWDYFYLV-UHFFFAOYSA-N |
Molecular Formula | C4H4N2O2 |
1,3-Dimethyl-1H-pyrazole-5-carboxylic acid, 97%, Thermo Scientific™
CAS: 5744-56-9 Molecular Formula: C6H8N2O2 Molecular Weight (g/mol): 140.14 MDL Number: MFCD00159636 InChI Key: QRWZFUBHOQWUGH-UHFFFAOYSA-N Synonym: 1,3-dimethyl-1h-pyrazole-5-carboxylic acid,1,3-dimethylpyrazole-5-carboxylic acid,2,5-dimethyl-2h-pyrazole-3-carboxylic acid,1h-pyrazole-5-carboxylic acid, 1,3-dimethyl,1,3-dimethylpyrazole-5-carboxylicacid,pubchem7839,ksc269g2l,1,3-dimethylpyrazol-5-carboxylic acid,pyrazole-5-carboxylic acid, 1,3-dmethyl,1h-pyrazole-5-carboxylicacid, 1,3-dimethyl PubChem CID: 587721 IUPAC Name: 2,5-dimethylpyrazole-3-carboxylic acid SMILES: CN1N=C(C)C=C1C(O)=O
PubChem CID | 587721 |
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CAS | 5744-56-9 |
Molecular Weight (g/mol) | 140.14 |
MDL Number | MFCD00159636 |
SMILES | CN1N=C(C)C=C1C(O)=O |
Synonym | 1,3-dimethyl-1h-pyrazole-5-carboxylic acid,1,3-dimethylpyrazole-5-carboxylic acid,2,5-dimethyl-2h-pyrazole-3-carboxylic acid,1h-pyrazole-5-carboxylic acid, 1,3-dimethyl,1,3-dimethylpyrazole-5-carboxylicacid,pubchem7839,ksc269g2l,1,3-dimethylpyrazol-5-carboxylic acid,pyrazole-5-carboxylic acid, 1,3-dmethyl,1h-pyrazole-5-carboxylicacid, 1,3-dimethyl |
IUPAC Name | 2,5-dimethylpyrazole-3-carboxylic acid |
InChI Key | QRWZFUBHOQWUGH-UHFFFAOYSA-N |
Molecular Formula | C6H8N2O2 |
Methyl 3-(2-morpholin-4-ylethoxy)benzoate, 97%, Thermo Scientific™
CAS: 249937-00-6 Molecular Formula: C14H19NO4 Molecular Weight (g/mol): 265.31 MDL Number: MFCD08060518 InChI Key: VOYSHDFODOJUMP-UHFFFAOYSA-N Synonym: methyl 3-2-morpholin-4-ylethoxy benzoate,methyl 3-2-morpholin-4-yl ethoxy benzoate,methyl 3-2-morpholinoethoxy benzoate,methyl 3-2-morpholin4-ylethoxy benzoate,3-2-morpholin-4-yl-ethoxy-benzoic acid methyl ester,benzoic acid,3-2-4-morpholinyl ethoxy-, methyl ester PubChem CID: 7164628 IUPAC Name: methyl 3-(2-morpholin-4-ylethoxy)benzoate SMILES: COC(=O)C1=CC(OCCN2CCOCC2)=CC=C1
PubChem CID | 7164628 |
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CAS | 249937-00-6 |
Molecular Weight (g/mol) | 265.31 |
MDL Number | MFCD08060518 |
SMILES | COC(=O)C1=CC(OCCN2CCOCC2)=CC=C1 |
Synonym | methyl 3-2-morpholin-4-ylethoxy benzoate,methyl 3-2-morpholin-4-yl ethoxy benzoate,methyl 3-2-morpholinoethoxy benzoate,methyl 3-2-morpholin4-ylethoxy benzoate,3-2-morpholin-4-yl-ethoxy-benzoic acid methyl ester,benzoic acid,3-2-4-morpholinyl ethoxy-, methyl ester |
IUPAC Name | methyl 3-(2-morpholin-4-ylethoxy)benzoate |
InChI Key | VOYSHDFODOJUMP-UHFFFAOYSA-N |
Molecular Formula | C14H19NO4 |
Methyl 3-[3-(dimethylamino)propoxy]benzoate, 97%, Thermo Scientific™
CAS: 921938-75-2 Molecular Formula: C13H19NO3 Molecular Weight (g/mol): 237.299 MDL Number: MFCD09702393 InChI Key: WGAZXKVAWOAUOI-UHFFFAOYSA-N Synonym: methyl 3-3-dimethylamino propoxy benzoate PubChem CID: 24229605 IUPAC Name: methyl 3-[3-(dimethylamino)propoxy]benzoate SMILES: CN(C)CCCOC1=CC=CC(=C1)C(=O)OC
PubChem CID | 24229605 |
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CAS | 921938-75-2 |
Molecular Weight (g/mol) | 237.299 |
MDL Number | MFCD09702393 |
SMILES | CN(C)CCCOC1=CC=CC(=C1)C(=O)OC |
Synonym | methyl 3-3-dimethylamino propoxy benzoate |
IUPAC Name | methyl 3-[3-(dimethylamino)propoxy]benzoate |
InChI Key | WGAZXKVAWOAUOI-UHFFFAOYSA-N |
Molecular Formula | C13H19NO3 |
Diethyl benzylidenemalonate, 98%
CAS: 5292-53-5 Molecular Formula: C14H16O4 Molecular Weight (g/mol): 248.28 MDL Number: MFCD00009149 InChI Key: VUWPIBNKJSEYIN-UHFFFAOYSA-N Synonym: diethyl benzylidenemalonate,diethyl benzalmalonate,diethyl 2-benzylidenemalonate,ethyl benzylidenemalonate,diethylbenzalmalonate,diethyl phenylmethylene malonate,malonic acid, benzylidene-, diethyl ester,diethylmalonate, benzal,benzylidenemalonic acid diethyl ester,propanedioic acid, phenylmethylene-, diethyl ester PubChem CID: 94751 IUPAC Name: diethyl 2-benzylidenepropanedioate SMILES: CCOC(=O)C(=CC1=CC=CC=C1)C(=O)OCC
PubChem CID | 94751 |
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CAS | 5292-53-5 |
Molecular Weight (g/mol) | 248.28 |
MDL Number | MFCD00009149 |
SMILES | CCOC(=O)C(=CC1=CC=CC=C1)C(=O)OCC |
Synonym | diethyl benzylidenemalonate,diethyl benzalmalonate,diethyl 2-benzylidenemalonate,ethyl benzylidenemalonate,diethylbenzalmalonate,diethyl phenylmethylene malonate,malonic acid, benzylidene-, diethyl ester,diethylmalonate, benzal,benzylidenemalonic acid diethyl ester,propanedioic acid, phenylmethylene-, diethyl ester |
IUPAC Name | diethyl 2-benzylidenepropanedioate |
InChI Key | VUWPIBNKJSEYIN-UHFFFAOYSA-N |
Molecular Formula | C14H16O4 |