111198-55-1
Butanedioic acid, 2-(phenylmethyl)-, 4-methyl ester, (2S)-
NameButanedioic acid, 2-(phenylmethyl)-, 4-methyl ester, (2S)-
1Identification
【Name】
Butanedioic acid, 2-(phenylmethyl)-, 4-methyl ester, (2S)-
【CAS】
【MDL】
【English Synonyms】
【Formula】
C12H13O4
【MolWeight】
221.2292
【Inchi】
InChI=1S/C12H14O4/c1-16-11(13)8-10(12(14)15)7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,14,15)/p-1/t10-/m0/s1
【InChIKey】
InChIKey=IEHZYEQBSQBULK-JTQLQIEISA-M
【SMILES】
C1(=CC=CC=C1)C[C@H](C(=O)[O-])CC(=O)OC
【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-(phenylmethyl)-, 4-methyl ester, (2S)-.cml