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Home > Nitro Compounds > 64480-12-2
64480-12-2 | (2Z)-2-(nitromethylidene)azepane
CAS No: 64480-12-2 Catalog No: AG0197KI MDL No:MFCD00464917
Product Description
Catalog Number:
AG0197KI
Chemical Name:
(2Z)-2-(nitromethylidene)azepane
CAS Number:
64480-12-2
Molecular Formula:
C7H12N2O2
Molecular Weight:
156.1824
MDL Number:
MFCD00464917
IUPAC Name:
2-(nitromethylidene)azepane
InChI:
InChI=1S/C7H12N2O2/c10-9(11)6-7-4-2-1-3-5-8-7/h6,8H,1-5H2
InChI Key:
VVTVZDUKYJWIDH-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)/C=C\1/CCCCCN1
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.09g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
156.185g/mol
Monoisotopic Mass:
156.09g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.4
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