Synonyms
MCULE-4418458735; AC1L20TT; AC1Q2QFE; EN300-21600; BR-50538; SCHEMBL661313; ZINC331660; 2-Methylcyclopentane-1,3-dione; NSC54458; EC 212-153-2;
IUPAC Name
2-methylcyclopentane-1,3-dione;
Molecular Weight
112.13
Molecular Formula
C6H8O2
Canonical SMILES
CC1C(=O)CCC1=O;
InChI
InChI=1S/C6H8O2/c1-4-5(7)2-3-6(4)8/h4H,2-3H2,1H3;
InChI Key
HXZILEQYFQYQCE-UHFFFAOYSA-N;
Purity
99%
Storage
Store below +30°C.
Complexity
122
Covalently-Bonded Unit Count
1
EC Number
212-153-2
Exact Mass
112.052g/mol
H-Bond Acceptor
2
Heavy Atom Count
8
Monoisotopic Mass
112.052g/mol
NSC Number
54458
Topological Polar Surface Area
34.1A^2
UNII
C9LG5VP01C
