Synonyms
AX8076707; 1,3-Butanedione, 2-methyl-1-phenyl-; BC221441; SCHEMBL3274886; 2-Methyl-1-phenyl-1,3-butanedione #; 0244AC; DB-011064; KS-00000N53; 2-methyl-1-phenylbutane-1,3-dione; FT-0711144;
IUPAC Name
2-methyl-1-phenylbutane-1,3-dione;
Molecular Weight
176.215g/mol
Molecular Formula
C11H12O2;
Canonical SMILES
CC(C(=O)C)C(=O)C1=CC=CC=C1;
InChI
InChI=1S/C11H12O2/c1-8(9(2)12)11(13)10-6-4-3-5-7-10/h3-8H,1-2H3;
InChI Key
IRNJRGVFXLVQEK-UHFFFAOYSA-N;
Complexity
202
Covalently-Bonded Unit Count
1
Exact Mass
176.084g/mol
H-Bond Acceptor
2
Heavy Atom Count
13
Monoisotopic Mass
176.084g/mol
Rotatable Bond Count
3
Topological Polar Surface Area
34.1A^2
Undefined Atom Stereocenter Count
1
