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Home > Nitro Compounds > 98196-97-5
98196-97-5 | 6-Nitro-4-oxohexanoic acid
CAS No: 98196-97-5 Catalog No: AG01E9GP MDL No:
Product Description
Catalog Number:
AG01E9GP
Chemical Name:
6-Nitro-4-oxohexanoic acid
CAS Number:
98196-97-5
IUPAC Name:
6-nitro-4-oxohexanoic acid
InChI:
InChI=1S/C6H9NO5/c8-5(1-2-6(9)10)3-4-7(11)12/h1-4H2,(H,9,10)
InChI Key:
XIILZEKSMDUWKM-UHFFFAOYSA-N
NSC Number:
122675
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.048g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
175.14g/mol
Monoisotopic Mass:
175.048g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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