200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 84903-29-7
84903-29-7 | 2-Cyclohexen-1-one, 3,5,5-trimethyl-2-nitro-
CAS No: 84903-29-7 Catalog No: AG004Q1N MDL No:
Product Description
Catalog Number:
AG004Q1N
Chemical Name:
2-Cyclohexen-1-one, 3,5,5-trimethyl-2-nitro-
CAS Number:
84903-29-7
Molecular Formula:
C9H13NO3
Molecular Weight:
183.2044
IUPAC Name:
3,5,5-trimethyl-2-nitrocyclohex-2-en-1-one
InChI:
InChI=1S/C9H13NO3/c1-6-4-9(2,3)5-7(11)8(6)10(12)13/h4-5H2,1-3H3
InChI Key:
PSOBWOCKVIUJHU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C1=C(C)CC(CC1=O)(C)C
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.09g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.207g/mol
Monoisotopic Mass:
183.09g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
62.9A^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.