7-methylazepan-2-one

7-methylazepan-2-one

CAS: 1985-48-4

Formula: C7H13NO

SMILES: CC1CCCCC(=O)N1

IUPAC: 7-methylazepan-2-one

InChI: InChI=1/C7H13NO/c1-6-4-2-3-5-7(9)8-6/h6H,2-5H2,1H3,(H,8,9)

Composition: C (66.11%), H (10.30%), N (11.01%), O (12.58%)

Molar Mass: 127.187

Atom Count: 22

Heavy Atom Count: 9

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	127.099714043
Formal Charge	0
FSP3	0.86
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	JAWSTIJAWZBKOU-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	35.88
Topological Polar Surface Area	29.1
Polarizability	14.1
Ring Count	1
Rotatable Bond Count	0

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95%	<6 Days	1985-48-4		$194.35-$1,321.35$194.35$331.20$1,321.35

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