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azepane-2,4-dione

azepane-2,4-dione

CAS: 29520-88-5

Formula: C6H9NO2

SMILES: O=C1CCCNC(=O)C1

IUPAC: azepane-2,4-dione

InChI: InChI=1S/C6H9NO2/c8-5-2-1-3-7-6(9)4-5/h1-4H2,(H,7,9)

Composition: C (56.68%), H (7.14%), N (11.02%), O (25.17%)

Molar Mass: 127.143

Atom Count: 18

Heavy Atom Count: 9

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 127.063328534
Formal Charge 0
FSP3 0.67
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey IRSLHFZTRANCOL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 32.15
Topological Polar Surface Area 46.17
Polarizability 12.38
Ring Count 1
Rotatable Bond Count 0

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97% <7 Days 29520-88-5 $146.80-$1,439.90$146.80$191.68$322.58$872.36$1,439.90
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98% <6 Days 29520-88-5 $40.25-$769.35$40.25$67.85$147.20$445.05$769.35
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