77269-66-0
2-METHYL-3-[(3,4-METHYLENEDIOXY)PHENYL]PROPIONIC ACID
Name2-METHYL-3-[(3,4-METHYLENEDIOXY)PHENYL]PROPIONIC ACID
1Identification
【Name】
2-METHYL-3-[(3,4-METHYLENEDIOXY)PHENYL]PROPIONIC ACID
【CAS】
【MDL】
MFCD06203229
【English Synonyms】
【Formula】
C11 H12 O4
【MolWeight】
208.212
【Inchi】
InChI=1S/C11H12O4/c1-7(11(12)13)4-8-2-3-9-10(5-8)15-6-14-9/h2-3,5,7H,4,6H2,1H3,(H,12,13)
【InChIKey】
InChIKey=DBXAHUCZEXVUKS-UHFFFAOYSA-N
【SMILES】
CC(Cc1ccc2c(c1)OCO2)C(=O)O
【MOL File】
2-METHYL-3-[(3,4-MET….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
2-METHYL-3-[(3,4-METHYLENEDIOXY)PHENYL]PROPIONIC ACID.cml