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Home > Nitro Compounds > 101009-82-9
101009-82-9 | 3-Hexanone, 6-nitro-
CAS No: 101009-82-9 Catalog No: AG0003HW MDL No:
Product Description
Catalog Number:
AG0003HW
Chemical Name:
3-Hexanone, 6-nitro-
CAS Number:
101009-82-9
Molecular Formula:
C6H11NO3
Molecular Weight:
145.1564
IUPAC Name:
6-nitrohexan-3-one
InChI:
InChI=1S/C6H11NO3/c1-2-6(8)4-3-5-7(9)10/h2-5H2,1H3
InChI Key:
REKPTZKEGCXNHL-UHFFFAOYSA-N
SMILES:
CCC(=O)CCC[N+](=O)[O-]
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.074g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
145.158g/mol
Monoisotopic Mass:
145.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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