4-(chloromethyl)-5-methylcyclopentane-1,2,3-trione

4-(chloromethyl)-5-methylcyclopentane-1,2,3-trione

CAS: 80841-78-7

Formula: C7H7ClO3

SMILES: CC1C(CCl)C(=O)C(=O)C1=O

IUPAC: 4-(chloromethyl)-5-methylcyclopentane-1,2,3-trione

InChI: InChI=1/C7H7ClO3/c1-3-4(2-8)6(10)7(11)5(3)9/h3-4H,2H2,1H3

Composition: C (48.16%), H (4.04%), Cl (20.31%), O (27.49%)

Molar Mass: 174.58

Atom Count: 18

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	174.0083718
Formal Charge	0
FSP3	0.57
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	PXBOJGDJYKWHSP-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	39.11
Topological Polar Surface Area	51.21
Polarizability	15.11
Ring Count	1
Rotatable Bond Count	1

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