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Home > Nitro Compounds > 113810-79-0
113810-79-0 | 5-Hexen-2-one, 5-nitro-
CAS No: 113810-79-0 Catalog No: AG0009RS MDL No:
Product Description
Catalog Number:
AG0009RS
Chemical Name:
5-Hexen-2-one, 5-nitro-
CAS Number:
113810-79-0
Molecular Formula:
C6H9NO3
Molecular Weight:
143.1406
IUPAC Name:
5-nitrohex-5-en-2-one
InChI:
InChI=1S/C6H9NO3/c1-5(7(9)10)3-4-6(2)8/h1,3-4H2,2H3
InChI Key:
RMWUJOMSSXDVDX-UHFFFAOYSA-N
SMILES:
CC(=O)CCC(=C)[N+](=O)[O-]
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
143.058g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
143.142g/mol
Monoisotopic Mass:
143.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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