5465-18-9
4-(3,4-DIMETHYL-PHENYL)-BUTYRIC ACID
Name4-(3,4-DIMETHYL-PHENYL)-BUTYRIC ACID
1Identification
【Name】
4-(3,4-DIMETHYL-PHENYL)-BUTYRIC ACID
【CAS】
【MDL】
MFCD00029857
【English Synonyms】
【Formula】
C12 H16 O2
【MolWeight】
192.256
【Inchi】
InChI=1S/C12H16O2/c1-9-6-7-11(8-10(9)2)4-3-5-12(13)14/h6-8H,3-5H2,1-2H3,(H,13,14)
【InChIKey】
InChIKey=ABMVUAWFTZKZDV-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1C)CCCC(=O)O
【MOL File】
4-(3,4-DIMETHYL-PHEN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:2
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(3,4-DIMETHYL-PHENYL)-BUTYRIC ACID.cml