Computed Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.146g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
172.268g/mol
Monoisotopic Mass:
172.146g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Synonyms
2-(propan-2-yl)heptanoic acid
116988-31-9
NE25595
Z1404661579
2-propan-2-ylheptanoic acid
31080-39-4
Heptanoic acid, 2-(1-methylethyl)-
2-propyl heptanoic acid
ACMC-20mmxy
SCHEMBL194727
CTK0C4890
DTXSID50706681
AKOS010365346
MCULE-3945412548
