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6804-88-2

6804-88-2 | 2H-Azepin-2-one, hexahydro-3-nitro-

CAS No: 6804-88-2 Catalog No: AG006G9J MDL No:

Product Description

Catalog Number:
AG006G9J
Chemical Name:
2H-Azepin-2-one, hexahydro-3-nitro-
CAS Number:
6804-88-2
Molecular Formula:
C6H10N2O3
Molecular Weight:
158.1552
IUPAC Name:
3-nitroazepan-2-one
InChI:
InChI=1S/C6H10N2O3/c9-6-5(8(10)11)3-1-2-4-7-6/h5H,1-4H2,(H,7,9)
InChI Key:
RITJPGRHUQHSST-UHFFFAOYSA-N
SMILES:
O=C1NCCCCC1[N+](=O)[O-]

Properties

Complexity:
175  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.069g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
158.157g/mol
Monoisotopic Mass:
158.069g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  

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