156048-94-1
Butanedioic acid, (2-methylpropyl)-, 4-(phenylmethyl) ester, (S)- (9CI)
NameButanedioic acid, (2-methylpropyl)-, 4-(phenylmethyl) ester, (S)- (9CI)
1Identification
【Name】
Butanedioic acid, (2-methylpropyl)-, 4-(phenylmethyl) ester, (S)- (9CI)
【CAS】
【MDL】
【English Synonyms】
【Formula】
C15H19O4
【MolWeight】
263.309
【Inchi】
InChI=1S/C15H20O4/c1-11(2)8-13(15(17)18)9-14(16)19-10-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,17,18)/p-1/t13-/m0/s1
【InChIKey】
InChIKey=LONNYWTXZKNPBV-ZDUSSCGKSA-M
【SMILES】
CC(C[C@H](C(=O)[O-])CC(=O)OCC1=CC=CC=C1)C
【MOL File】
Butanedioic acid, (2….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:0
XLogP3:0.0
Bulk/Fine:
3Material Safety Data Sheet(MSDS)
4CML File
Butanedioic acid, (2-methylpropyl)-, 4-(phenylmethyl) ester, (S)- (9CI).cml