73839-65-3
ALPHA-ACETYL-4-HYDROXY-BETA-(HYDROXYMETHYL)-3-METHOXYCINNAMIC ACID GAMMA-LACTONE
NameALPHA-ACETYL-4-HYDROXY-BETA-(HYDROXYMETHYL)-3-METHOXYCINNAMIC ACID GAMMA-LACTONE
1Identification
【Name】
ALPHA-ACETYL-4-HYDROXY-BETA-(HYDROXYMETHYL)-3-METHOXYCINNAMIC ACID GAMMA-LACTONE
【CAS】
【MDL】
MFCD00022481
【English Synonyms】
【Formula】
C13 H12 O5
【MolWeight】
248.233
【Inchi】
InChI=1S/C13H12O5/c1-7(14)12-9(6-18-13(12)16)8-3-4-10(15)11(5-8)17-2/h3-5,15H,6H2,1-2H3
【InChIKey】
InChIKey=ULTWKORORDEMCL-UHFFFAOYSA-N
【SMILES】
CC(=O)C1=C(COC1=O)c2ccc(c(c2)OC)O
【MOL File】
ALPHA-ACETYL-4-HYDRO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ALPHA-ACETYL-4-HYDROXY-BETA-(HYDROXYMETHYL)-3-METHOXYCINNAMIC ACID GAMMA-LACTONE.cml