Computed Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.099g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.231g/mol
Monoisotopic Mass:
178.099g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Synonyms
3-Methyl-3-phenylbutanoic acid
1010-48-6
beta,beta-Dimethylbenzenepropanoic acid
NSC 200697
NSC 408029
BRN 2088152
.beta.-Phenylisovaleric acid
3-methyl-3-phenylbutyric acid
AI3-19952
JTZZMXVIHNHASS-UHFFFAOYSA-N
Benzenepropanoic acid, beta,beta-dimethyl- (9CI)
Hydrocinnamic acid, beta,beta-dimethyl-
3-Phenylisopentanoic acid
Hydrocinnamic acid,.beta.-dimethyl-
MFCD00020492
Benzenepropanoic acid,.beta.-dimethyl-
3-phenyl-isovaleric acid
Hydrocinnamic acid, .beta.,.beta.-dimethyl-
AC1L22PB
AC1Q1NJ7
Benzenepropanoic acid, .beta.,.beta.-dimethyl-
SCHEMBL57411
4-09-00-01874 (Beilstein Handbook Reference)
3-Methyl-3-phenyl-butanoic acid
3-Methyl-3-phenyl-butyric acid
3-methyl-3- phenylbutanoic acid
3-methyl-3-phenyl butanoic acid
DTXSID40143622
NSC1046
3-Methyl-3-phenylbutanoic acid #
ZINC393261
ALBB-028119
NSC-1046
NSC200697
beta-Phenylisovaleric acid
NSC408029
STL480834
3,3-dimethyl-3-phenyl propionic acid
AKOS000320083
CM-1017
MCULE-9200646630
NSC-200697
NSC-408029
.beta.,.beta.-Dimethylhydrocinnamic acid
AC-22542
Benzenepropanoic acid, beta,beta-dimethyl-
AJ-21272
BS-13847
LS-77178
AB0091205
TL8000079
FT-0649709
EN300-52445
W-6245
AE-562/40987648
F9994-0612
beta,beta-Dimethylhydrocinnamic acid
3-methyl-3-phenylbutyricacid
CID13890
C11-H14-O2
3-methyl-3-phenylbutanoic acid, 95% - 1G 1g
1,2,5,6-Tetrahydro-3-pyridinecarboxylic Acid Hydrochloride
NSC 1046
UNII-SY9Z3KBQ5R
SY9Z3KBQ5R
