Computed Properties
Complexity:
175
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:
3.7
Synonyms
100058-55-7
2-(2-methylpropyl)benzoic acid
DTXSID80557643
PSHADDQTSCEAHY-UHFFFAOYSA-N
ZINC34252972
AKOS013201179
MCULE-4167889243
NE38366
TX-016038
Z1837073462
Benzoic acid, 2-(2-methylpropyl)-
isobutylbenzoic acid
2-isobutylbenzoic acid
2-isobutyl-benzoic acid
isobutyl benzoic acid
ACMC-20dus2
SCHEMBL157592
CTK0G9114
