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Home > Nitro Compounds > 827598-92-5
827598-92-5 | 1,2,4,6-Cycloheptatetraene, 1-nitro-
CAS No: 827598-92-5 Catalog No: AG005763 MDL No:
Product Description
Catalog Number:
AG005763
Chemical Name:
1,2,4,6-Cycloheptatetraene, 1-nitro-
CAS Number:
827598-92-5
Molecular Formula:
C7H5NO2
Molecular Weight:
135.1201
IUPAC Name:
1-nitrocyclohepta-1,2,4,6-tetraene
InChI:
InChI=1S/C7H5NO2/c9-8(10)7-5-3-1-2-4-6-7/h1-5H
InChI Key:
UXZZWLGTGHFAMY-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C1=C=CC=CC=C1
Properties
Complexity:
262
Compound Is Canonicalized:
No
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.032g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
135.122g/mol
Monoisotopic Mass:
135.032g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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