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1,4-oxazepan-3-one

1,4-oxazepan-3-one

Formula: C5H9NO2

SMILES: O=C1COCCCN1

IUPAC: 1,4-oxazepan-3-one

InChI: InChI=1S/C5H9NO2/c7-5-4-8-3-1-2-6-5/h1-4H2,(H,6,7)

Composition: C (52.16%), H (7.88%), N (12.17%), O (27.79%)

Molar Mass: 115.132

Atom Count: 17

Heavy Atom Count: 8

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 115.063328534
Formal Charge 0
FSP3 0.8
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey YNHIMQYJCDVCEG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 28.71
Topological Polar Surface Area 38.33
Polarizability 11.17
Ring Count 1
Rotatable Bond Count 0

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Purity (%)
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Purity LeadTime Formula UnitPrice
98% <10 Days C5H9NO2 Quote Only