Carboxylic acids and derivatives
4-Cyanophenylacetic acid, 97%
CAS: 5462-71-5 Molecular Formula: C9H7NO2 Molecular Weight (g/mol): 161.16 MDL Number: MFCD06798066 InChI Key: WEBXRQONNWEETE-UHFFFAOYSA-N Synonym: 2-4-cyanophenyl acetic acid,4-cyanophenylacetic acid,4-cyanophenyl acetic acid,benzeneacetic acid, 4-cyano,4-cyano-phenyl-acetic acid,p-cyanophenylacetic acid,4-cyanobenzeneacetic acid,p-cyanophenyl acetic acid,acetic acid, p-cyanophenyl PubChem CID: 79587 IUPAC Name: 2-(4-cyanophenyl)acetic acid SMILES: OC(=O)CC1=CC=C(C=C1)C#N
Ethyl decanoate, 99%
CAS: 110-38-3 Molecular Formula: C12H24O2 Molecular Weight (g/mol): 200.322 MDL Number: MFCD00009581 InChI Key: RGXWDWUGBIJHDO-UHFFFAOYSA-N Synonym: ethyl caprate,ethyl caprinate,ethyl decylate,decanoic acid ethyl ester,decanoic acid, ethyl ester,capric acid ethyl ester,ethyl n-decanoate,capric acid, ethyl ester,natural,unii-gy39fb86uo PubChem CID: 8048 ChEBI: CHEBI:87430 IUPAC Name: ethyl decanoate SMILES: CCCCCCCCCC(=O)OCC
1-Phenylcyclohexanecarboxylic acid, 99%
CAS: 1135-67-7 Molecular Formula: C13H16O2 Molecular Weight (g/mol): 204.269 MDL Number: MFCD00037152 InChI Key: QXXHHHWXFHPNOS-UHFFFAOYSA-N Synonym: 1-phenylcyclohexanecarboxylic acid,1-phenyl-1-cyclohexanecarboxylic acid,1-phenyl-cyclohexanecarboxylic acid,cyclohexanecarboxylic acid, 1-phenyl,acmc-1c6ij,1-phenylcyclohexanecarboxylicacid,qxxhhhwxfhpnos-uhfffaoysa,1-phenylcyclohexanecarboxylic acid #,cyclohexanecarboxylicacid, 1-phenyl,1-phenyl-1-cyclohexane carboxylic acid PubChem CID: 70817 IUPAC Name: 1-phenylcyclohexane-1-carboxylic acid SMILES: C1CCC(CC1)(C2=CC=CC=C2)C(=O)O
2-Naphthyl acetate, 99%
CAS: 1523-11-1 Molecular Formula: C12H10O2 Molecular Weight (g/mol): 186.21 MDL Number: MFCD00004060 InChI Key: RJNPPEUAJCEUPV-UHFFFAOYSA-N Synonym: 2-naphthyl acetate,2-acetoxynaphthalene,2-naphthalenol, acetate,beta-naphthyl acetate,2-naphthol, acetate,naphthalene, 2-acetoxy,2-naphthalenol, 2-acetate,.beta.-naphthol acetate,.beta.-naphthyl acetate,o-acetyl-.beta.-naphthol PubChem CID: 73709 IUPAC Name: naphthalen-2-yl acetate SMILES: CC(=O)OC1=CC=C2C=CC=CC2=C1
n-Butyl butyrate, 99%
CAS: 109-21-7 Molecular Formula: C8H16O2 Molecular Weight (g/mol): 144.21 MDL Number: MFCD00009450 InChI Key: XUPYJHCZDLZNFP-UHFFFAOYSA-N Synonym: butyl butyrate,n-butyl butyrate,butanoic acid, butyl ester,n-butyl butanoate,1-butyl butyrate,butyl butylate,butyric acid butyl ester,n-butyl n-butyrate,butyric acid, butyl ester,butyl n-butyrate PubChem CID: 7983 ChEBI: CHEBI:87429 IUPAC Name: butyl butanoate SMILES: CCCCOC(=O)CCC
3-(Methylthio)propionic acid, 98%
CAS: 646-01-5 Molecular Formula: C4H8O2S Molecular Weight (g/mol): 120.166 MDL Number: MFCD00059635 InChI Key: CAOMCZAIALVUPA-UHFFFAOYSA-N Synonym: 3-methylthio propionic acid,3-methylthiopropionate,3-methylthiopropionic acid,4-thiapentanoic acid,3-methylsulfanyl propanoic acid,propanoic acid, 3-methylthio,3-methylmercaptopropionic acid,unii-f523ali47d,3-methylthio propanoic acid,propionic acid, 3-methylthio PubChem CID: 563 ChEBI: CHEBI:1438 IUPAC Name: 3-methylsulfanylpropanoic acid SMILES: CSCCC(=O)O
n-Octyl gallate, 98+%
CAS: 1034-01-1 Molecular Formula: C15H22O5 Molecular Weight (g/mol): 282.336 MDL Number: MFCD00002197 InChI Key: NRPKURNSADTHLJ-UHFFFAOYSA-N Synonym: octyl gallate,n-octyl gallate,progallin o,stabilizer ga 8,n-octylgallate,gallic acid, octyl ester,gallic acid n-octyl ester,gallic acid octyl ester,benzoic acid, 3,4,5-trihydroxy-, octyl ester,oktylester kyseliny gallove PubChem CID: 61253 ChEBI: CHEBI:83631 IUPAC Name: octyl 3,4,5-trihydroxybenzoate SMILES: CCCCCCCCOC(=O)C1=CC(=C(C(=C1)O)O)O
3-Pyridazinecarboxylic acid, 97%
CAS: 2164-61-6 Molecular Formula: C5H4N2O2 Molecular Weight (g/mol): 124.1 InChI Key: RUUOPSRRIKJHNH-UHFFFAOYSA-N Synonym: 3-pyridazinecarboxylic acid,3-carboxypyridazine,3-pyridazine carboxylic acid,pubchem22109,pyridazine carboxylic acid,ksc202q0p,pyridazine-3-carboxylic acid,3-carboxypyridazine; 3-pyridazinecarboxylic acid; PubChem CID: 269369 IUPAC Name: pyridazine-3-carboxylic acid SMILES: C1=CC(=NN=C1)C(=O)O
n-Hexyl acetate, 99%
CAS: 142-92-7 Molecular Formula: C8H16O2 Molecular Weight (g/mol): 144.214 MDL Number: MFCD00009524 InChI Key: AOGQPLXWSUTHQB-UHFFFAOYSA-N Synonym: n-hexyl acetate,1-hexyl acetate,hexyl ethanoate,acetic acid hexyl ester,n-hexyl ethanoate,acetic acid, hexyl ester,hexyl alcohol, acetate,l-hexyl acetate,fema no. 2565,natural PubChem CID: 8908 ChEBI: CHEBI:87510 IUPAC Name: hexyl acetate SMILES: CCCCCCOC(=O)C
3-(3-Bromophenyl)propionic acid, 97%
CAS: 42287-90-1 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.073 MDL Number: MFCD01310792 InChI Key: DWKWMFSWLCIMKI-UHFFFAOYSA-N Synonym: 3-3-bromophenyl propanoic acid,3-3-bromophenyl propionic acid,3-3-bromo-phenyl-propionic acid,3-bromophenylpropanoic acid,acmc-209jor,m-bromohydrocinnamic acid,3-bromohydrocinnamic acid,benzenepropanoic acid,3-bromo,3-3-bromophenyl propionicacid,3-m-bromophenyl propionic acid PubChem CID: 2063862 IUPAC Name: 3-(3-bromophenyl)propanoic acid SMILES: C1=CC(=CC(=C1)Br)CCC(=O)O
1-Cyano-1-cyclopropanecarboxylic acid, 97%
CAS: 6914-79-0 Molecular Formula: C5H4NO2 Molecular Weight (g/mol): 110.09 MDL Number: MFCD00190651 InChI Key: KSJJMSKNZVXAND-UHFFFAOYSA-M Synonym: 1-cyanocyclopropanecarboxylic acid,1-cyano-1-cyclopropanecarboxylic acid,cyanocyclopropanecarboxylic acid,cyclopropanecarboxylic acid, 1-cyano,cyclopropane, 4,1-cyanocyclopropane-carboxylic acid,1-cyano-1-cyclopropanecarboxylicacid,1-cyano-cyclo-propanecarboxylic acid,1-cyano-1-cyclopropane carboxylic acid,1-cyano-1-cyclopropane-carboxylic acid PubChem CID: 2733259 IUPAC Name: 1-cyanocyclopropane-1-carboxylic acid SMILES: [O-]C(=O)C1(CC1)C#N
Ethyl 3-tert-butyl-1H-pyrazole-5-carboxylate, 97%
CAS: 916791-97-4 Molecular Formula: C10H16N2O2 Molecular Weight (g/mol): 196.25 MDL Number: MFCD00173782 InChI Key: RCXMILPYEKVQLB-UHFFFAOYSA-N Synonym: ethyl 3-tert-butyl-1h-pyrazole-5-carboxylate,5-tert-butyl-2h-pyrazole-3-carboxylic acid ethyl ester,5-tert-butyl-2h-pyrazole-3-carboxylic acid ethylester,ethyl 5-tert-butyl-1h-pyrazole-3-carboxylate,ethyl 5-tert-butyl-2h-pyrazole-3-carboxylate,1h-pyrazole-3-carboxylic acid, 5-1,1-dimethylethyl-, ethyl ester,maybridge3_006722,acmc-1cr14 PubChem CID: 2743509 IUPAC Name: ethyl 5-tert-butyl-1H-pyrazole-3-carboxylate SMILES: CCOC(=O)C1=NNC(=C1)C(C)(C)C
Ethyl cyclohexanecarboxylate, 98+%
CAS: 3289-28-9 Molecular Formula: C9H16O2 Molecular Weight (g/mol): 156.225 MDL Number: MFCD00041734 InChI Key: JJOYCHKVKWDMEA-UHFFFAOYSA-N Synonym: cyclohexanecarboxylic acid, ethyl ester,ethyl cyclohexylformate,ethyl hexahydrobenzoate,cyclohexanecarboxylic acid ethyl ester,ethoxycarbonylcyclohexane,ethyl cyclohexylcarboxylate,ethyl cyclohexanoate,fema no. 3544,ethyl cyclohexylmethanoate,ethyl cyclohexanocarboxylate PubChem CID: 18686 IUPAC Name: ethyl cyclohexanecarboxylate SMILES: CCOC(=O)C1CCCCC1
Phenylpropiolic acid, 97%
CAS: 637-44-5 Molecular Formula: C9H6O2 Molecular Weight (g/mol): 146.15 MDL Number: MFCD00004361 InChI Key: XNERWVPQCYSMLC-UHFFFAOYSA-N Synonym: phenylpropiolic acid,3-phenylpropiolic acid,phenylpropynoic acid,3-phenylpropynoic acid,2-propynoic acid, 3-phenyl,phenylacetylenecarboxylic acid,3-phenyl-2-propynoic acid,phenylacetylene monocarboxylic acid,propiolic acid, 3-phenyl,phenyl propiolic acid PubChem CID: 69475 IUPAC Name: 3-phenylprop-2-ynoic acid SMILES: OC(=O)C#CC1=CC=CC=C1
trans-1,2-Diaminocyclohexane-N,N,N',N'-tetraacetic Acid, Monohydrate, Macron Fine Chemicals™
CAS: 13291-61-7 Molecular Formula: C14H22N2O8 Molecular Weight (g/mol): 346.336 InChI Key: FCKYPQBAHLOOJQ-NXEZZACHSA-N Synonym: 2,2',2,2'-1r,2r-rel-cyclohexane-1,2-diylbis azanetriyl tetraacetic acid,trans-cyclohexane-1,2-dinitrilotetraacetic acid,acetic acid, 1,2-cyclohexylenedinitrilo tetra-, trans,glycine, n,n'-1,2-cyclohexanediylbis n-carboxymethyl-, trans,2,2',2,2'-1r,2r-cyclohexane-1,2-diylbis azanetriyl tetraacetic acid,rel-2,2',2,2'-1r,2r-cyclohexane-1,2-diylbis azanetriyl tetraacetic acid,trans-1,2-cyclohexanediaminetetraacetic acid,trans-1,2-diaminocyclohexane-n,n,n',n'-tetraacetic acid,glycine, n,n'-1r,2r-1,2-cyclohexanediylbis n-carboxymethyl-, rel PubChem CID: 2723845 IUPAC Name: 2-[[(1R,2R)-2-[bis(carboxymethyl)amino]cyclohexyl]-(carboxymethyl)amino]acetic acid SMILES: C1CCC(C(C1)N(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O