4-(hydroxymethyl)cyclohexan-1-one

4-(hydroxymethyl)cyclohexan-1-one

CAS: 38580-68-6

Formula: C7H12O2

SMILES: OCC1CCC(=O)CC1

IUPAC: 4-(hydroxymethyl)cyclohexan-1-one

InChI: InChI=1S/C7H12O2/c8-5-6-1-3-7(9)4-2-6/h6,8H,1-5H2

Composition: C (65.60%), H (9.44%), O (24.97%)

Molar Mass: 128.171

Atom Count: 21

Heavy Atom Count: 9

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	128.083729626
Formal Charge	0
FSP3	0.86
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	KHMBXNKCMNGLKG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	34.65
Topological Polar Surface Area	37.3
Polarizability	13.6
Ring Count	1
Rotatable Bond Count	1

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