200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 76356-96-2
76356-96-2 | 1,3-Cyclohexadiene, 2-nitro-
CAS No: 76356-96-2 Catalog No: AG005DYU MDL No:
Product Description
Catalog Number:
AG005DYU
Chemical Name:
1,3-Cyclohexadiene, 2-nitro-
CAS Number:
76356-96-2
Molecular Formula:
C6H7NO2
Molecular Weight:
125.1253
IUPAC Name:
2-nitrocyclohexa-1,3-diene
InChI:
InChI=1S/C6H7NO2/c8-7(9)6-4-2-1-3-5-6/h2,4-5H,1,3H2
InChI Key:
LYSXCDWZBFYRPG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C1=CCCC=C1
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
125.048g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
125.127g/mol
Monoisotopic Mass:
125.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.