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Home > Nitro Compounds > 10269-96-2
10269-96-2 | Hexanoic acid, 6-nitro-
CAS No: 10269-96-2 Catalog No: AG000850 MDL No:
Product Description
Catalog Number:
AG000850
Chemical Name:
Hexanoic acid, 6-nitro-
CAS Number:
10269-96-2
Molecular Formula:
C6H11NO4
Molecular Weight:
161.1558
IUPAC Name:
6-nitrohexanoic acid
InChI:
InChI=1S/C6H11NO4/c8-6(9)4-2-1-3-5-7(10)11/h1-5H2,(H,8,9)
InChI Key:
RDMHCTBEKVBKLF-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCC[N+](=O)[O-]
Properties
Complexity:
140
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:
1
Isotope Atom Count:
0
Molecular Weight:
161.157g/mol
Monoisotopic Mass:
161.069g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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