200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 88238-94-2
88238-94-2 | 2,6-Dodecanedione, 5-(hydroxymethyl)-5-nitro-
CAS No: 88238-94-2 Catalog No: AG004AUH MDL No:
Product Description
Catalog Number:
AG004AUH
Chemical Name:
2,6-Dodecanedione, 5-(hydroxymethyl)-5-nitro-
CAS Number:
88238-94-2
Molecular Formula:
C13H23NO5
Molecular Weight:
273.3254
IUPAC Name:
5-(hydroxymethyl)-5-nitrododecane-2,6-dione
InChI:
InChI=1S/C13H23NO5/c1-3-4-5-6-7-12(17)13(10-15,14(18)19)9-8-11(2)16/h15H,3-10H2,1-2H3
InChI Key:
CDVAIFGSMFQHPW-UHFFFAOYSA-N
SMILES:
CCCCCCC(=O)C([N+](=O)[O-])(CCC(=O)C)CO
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.158g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.329g/mol
Monoisotopic Mass:
273.158g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.