867256-80-2
BUTANEDIOIC ACID, MONO[[4-(HYDROXYMETHYL)PHENYL]METHYL] ESTER
NameBUTANEDIOIC ACID, MONO[[4-(HYDROXYMETHYL)PHENYL]METHYL] ESTER
1Identification
【Name】
BUTANEDIOIC ACID, MONO[[4-(HYDROXYMETHYL)PHENYL]METHYL] ESTER
【CAS】
【MDL】
MFCD16878627
【English Synonyms】
【Formula】
C13 H11 N O3
【MolWeight】
229.234
【Inchi】
InChI=1S/C13H11NO3/c1-17-12-4-2-3-11(14-12)9-5-7-10(8-6-9)13(15)16/h2-8H,1H3,(H,15,16)
【InChIKey】
InChIKey=OPEHJPNXVOWCEI-UHFFFAOYSA-N
【SMILES】
COc1cccc(n1)c2ccc(cc2)C(=O)O
【MOL File】
BUTANEDIOIC ACID, MO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
BUTANEDIOIC ACID, MONO[[4-(HYDROXYMETHYL)PHENYL]METHYL] ESTER.cml