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Home > Nitro Compounds > 6848-84-6
6848-84-6 | 1,5-dinitropentane
CAS No: 6848-84-6 Catalog No: AG005PVU MDL No:
Product Description
Catalog Number:
AG005PVU
Chemical Name:
1,5-dinitropentane
CAS Number:
6848-84-6
Molecular Formula:
C5H10N2O4
Molecular Weight:
162.1439
IUPAC Name:
1,5-dinitropentane
InChI:
InChI=1S/C5H10N2O4/c8-6(9)4-2-1-3-5-7(10)11/h1-5H2
InChI Key:
OQCOYCBADKYRQS-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)CCCCC[N+](=O)[O-]
NSC Number:
55332
Properties
Complexity:
120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.064g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.145g/mol
Monoisotopic Mass:
162.064g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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