836669-76-2
BENZOIC ACID, 2,4,5-TRIMETHOXY-, 3-PHENYLPROPYL ESTER
NameBENZOIC ACID, 2,4,5-TRIMETHOXY-, 3-PHENYLPROPYL ESTER
1Identification
【Name】
BENZOIC ACID, 2,4,5-TRIMETHOXY-, 3-PHENYLPROPYL ESTER
【CAS】
【MDL】
MFCD09839568
【English Synonyms】
【Formula】
C19 H22 O5
【MolWeight】
330.378
【Inchi】
InChI=1S/C19H22O5/c1-21-16-13-18(23-3)17(22-2)12-15(16)19(20)24-11-7-10-14-8-5-4-6-9-14/h4-6,8-9,12-13H,7,10-11H2,1-3H3
【InChIKey】
InChIKey=ABYVASMNFFCUIH-UHFFFAOYSA-N
【SMILES】
COc1cc(c(cc1OC)OC)C(=O)OCCCc2ccccc2
【MOL File】
BENZOIC ACID, 2,4,5-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
BENZOIC ACID, 2,4,5-TRIMETHOXY-, 3-PHENYLPROPYL ESTER.cml