200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 88226-44-2
88226-44-2 | 3-Nonanone, 1-(acetyloxy)-2-methyl-2-nitro-
CAS No: 88226-44-2 Catalog No: AG004D1F MDL No:
Product Description
Catalog Number:
AG004D1F
Chemical Name:
3-Nonanone, 1-(acetyloxy)-2-methyl-2-nitro-
CAS Number:
88226-44-2
Molecular Formula:
C12H21NO5
Molecular Weight:
259.2988
IUPAC Name:
(2-methyl-2-nitro-3-oxononyl) acetate
InChI:
InChI=1S/C12H21NO5/c1-4-5-6-7-8-11(15)12(3,13(16)17)9-18-10(2)14/h4-9H2,1-3H3
InChI Key:
BSCBMLBELMXFIO-UHFFFAOYSA-N
SMILES:
CCCCCCC(=O)C([N+](=O)[O-])(COC(=O)C)C
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.142g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.302g/mol
Monoisotopic Mass:
259.142g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
89.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.