3,4-dimethylcyclopentane-1,2-dione

3,4-dimethylcyclopentane-1,2-dione

CAS: 13494-06-9

Formula: C7H10O2

SMILES: CC1CC(=O)C(=O)C1C

IUPAC: 3,4-dimethylcyclopentane-1,2-dione

InChI: InChI=1/C7H10O2/c1-4-3-6(8)7(9)5(4)2/h4-5H,3H2,1-2H3

Composition: C (66.65%), H (7.99%), O (25.36%)

Molar Mass: 126.155

Atom Count: 19

Heavy Atom Count: 9

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	126.068079562
Formal Charge	0
FSP3	0.71
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	WGAVDEVFJDQIMZ-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	33.51
Topological Polar Surface Area	34.14
Polarizability	13.06
Ring Count	1
Rotatable Bond Count	0

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