200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 197585-99-2
197585-99-2 | Hexanal, 6-(nitrooxy)-
CAS No: 197585-99-2 Catalog No: AG002AW9 MDL No:
Product Description
Catalog Number:
AG002AW9
Chemical Name:
Hexanal, 6-(nitrooxy)-
CAS Number:
197585-99-2
Molecular Formula:
C6H11NO4
Molecular Weight:
161.1558
IUPAC Name:
6-oxohexyl nitrate
InChI:
InChI=1S/C6H11NO4/c8-5-3-1-2-4-6-11-7(9)10/h5H,1-4,6H2
InChI Key:
BSOUFWBHIRXMPX-UHFFFAOYSA-N
SMILES:
O=CCCCCCO[N+](=O)[O-]
Properties
Complexity:
120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.069g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.157g/mol
Monoisotopic Mass:
161.069g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.