101913-71-7
3,6-DIMETHYL-3-PHENYL-HEPTANOIC ACID
Name3,6-DIMETHYL-3-PHENYL-HEPTANOIC ACID
1Identification
【Name】
3,6-DIMETHYL-3-PHENYL-HEPTANOIC ACID
【CAS】
【MDL】
MFCD01723793
【English Synonyms】
【Formula】
C15 H22 O2
【MolWeight】
234.337
【Inchi】
InChI=1S/C15H22O2/c1-12(2)9-10-15(3,11-14(16)17)13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3,(H,16,17)
【InChIKey】
InChIKey=YIHLJIOCTULOLG-UHFFFAOYSA-N
【SMILES】
CC(C)CCC(C)(CC(=O)O)c1ccccc1
【MOL File】
3,6-DIMETHYL-3-PHENY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:2
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3,6-DIMETHYL-3-PHENYL-HEPTANOIC ACID.cml