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Home > Nitro Compounds > 83188-08-3
83188-08-3 | 6-Nitroheptan-3-one
CAS No: 83188-08-3 Catalog No: AG0050DO MDL No:MFCD26967963
Product Description
Catalog Number:
AG0050DO
Chemical Name:
6-Nitroheptan-3-one
CAS Number:
83188-08-3
Molecular Formula:
C7H13NO3
Molecular Weight:
159.1830
MDL Number:
MFCD26967963
IUPAC Name:
6-nitroheptan-3-one
InChI:
InChI=1S/C7H13NO3/c1-3-7(9)5-4-6(2)8(10)11/h6H,3-5H2,1-2H3
InChI Key:
ZYKAXLRSLQVORW-UHFFFAOYSA-N
SMILES:
CCC(=O)CCC([N+](=O)[O-])C
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.09g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
159.185g/mol
Monoisotopic Mass:
159.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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