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Home > Nitro Compounds > 85060-02-2
85060-02-2 | 3-Nitro-2-pentanol nitronate
CAS No: 85060-02-2 Catalog No: AG004YHI MDL No:
Product Description
Catalog Number:
AG004YHI
Chemical Name:
3-Nitro-2-pentanol nitronate
CAS Number:
85060-02-2
Molecular Formula:
C6H14N2O5
Molecular Weight:
194.1858
IUPAC Name:
N-hydroxymethanimine oxide;3-nitropentan-2-ol
InChI:
InChI=1S/C5H11NO3.CH3NO2/c1-3-5(4(2)7)6(8)9;1-2(3)4/h4-5,7H,3H2,1-2H3;1H2,(H,3,4)
InChI Key:
KXPNYPSDUWGGMK-UHFFFAOYSA-N
SMILES:
[O-][N+](=C)O.CCC([N+](=O)[O-])C(O)C
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.09g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
194.187g/mol
Monoisotopic Mass:
194.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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