ChemicalBook CAS DataBase List 177736-21-9

177736-21-9

Name	Benzenebutanoic acid, 4-carboxy-, -alpha--ethyl ester (9CI)
CAS	177736-21-9
Molecular Formula	C13H16O4
Molecular Weight	236.26
MOL File	177736-21-9.mol

Chemical Properties

InChI	InChI=1S/C13H16O4/c1-2-17-12(14)5-3-4-10-6-8-11(9-7-10)13(15)16/h6-9H,2-5H2,1H3,(H,15,16)
InChIKey	NRXNZNNOATXJBU-UHFFFAOYSA-N
SMILES	C1(CCCC(OCC)=O)=CC=C(C(O)=O)C=C1