200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 88226-39-5
88226-39-5 | Cyclohexanone, 2-(hydroxymethyl)-2-nitro-
CAS No: 88226-39-5 Catalog No: AG004D1H MDL No:
Product Description
Catalog Number:
AG004D1H
Chemical Name:
Cyclohexanone, 2-(hydroxymethyl)-2-nitro-
CAS Number:
88226-39-5
Molecular Formula:
C7H11NO4
Molecular Weight:
173.1665
IUPAC Name:
2-(hydroxymethyl)-2-nitrocyclohexan-1-one
InChI:
InChI=1S/C7H11NO4/c9-5-7(8(11)12)4-2-1-3-6(7)10/h9H,1-5H2
InChI Key:
KZPGVNDWANKMAK-UHFFFAOYSA-N
SMILES:
OCC1(CCCCC1=O)[N+](=O)[O-]
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.069g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
173.168g/mol
Monoisotopic Mass:
173.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.