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1-acetylazepan-2-one

1-acetylazepan-2-one

CAS: 1888-91-1

Formula: C8H13NO2

SMILES: CC(=O)N1CCCCCC1=O

IUPAC: 1-acetylazepan-2-one

InChI: InChI=1S/C8H13NO2/c1-7(10)9-6-4-2-3-5-8(9)11/h2-6H2,1H3

Composition: C (61.91%), H (8.44%), N (9.03%), O (20.62%)

Molar Mass: 155.197

Atom Count: 24

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 155.094628663
Formal Charge 0
FSP3 0.75
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey QISSLHPKTCLLDL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 41.03
Topological Polar Surface Area 37.38
Polarizability 16.04
Ring Count 1
Rotatable Bond Count 0

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