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Home > Nitro Compounds > 144449-85-4
144449-85-4 | Hexanoic acid, 4,6-dinitro-
CAS No: 144449-85-4 Catalog No: AG001JJP MDL No:
Product Description
Catalog Number:
AG001JJP
Chemical Name:
Hexanoic acid, 4,6-dinitro-
CAS Number:
144449-85-4
Molecular Formula:
C6H10N2O6
Molecular Weight:
206.1534
IUPAC Name:
4,6-dinitrohexanoic acid
InChI:
InChI=1S/C6H10N2O6/c9-6(10)2-1-5(8(13)14)3-4-7(11)12/h5H,1-4H2,(H,9,10)
InChI Key:
AXBUOPOPPOABHG-UHFFFAOYSA-N
SMILES:
OC(=O)CCC([N+](=O)[O-])CC[N+](=O)[O-]
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.054g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.154g/mol
Monoisotopic Mass:
206.054g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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