51018-80-5
2-METHYL-2-PHENYL-BUTYRIC ACID
Name2-METHYL-2-PHENYL-BUTYRIC ACID
1Identification
【Name】
2-METHYL-2-PHENYL-BUTYRIC ACID
【CAS】
【MDL】
MFCD00267946
【English Synonyms】
【Formula】
C11 H14 O2
【MolWeight】
178.23
【Inchi】
InChI=1S/C11H14O2/c1-3-11(2,10(12)13)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3,(H,12,13)
【InChIKey】
InChIKey=IDZLDUPVMGWZLD-UHFFFAOYSA-N
【SMILES】
CCC(C)(c1ccccc1)C(=O)O
【MOL File】
2-METHYL-2-PHENYL-BU….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:2
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-METHYL-2-PHENYL-BUTYRIC ACID.cml