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65199-75-9 | 2-Heptanone, 4-methyl-5-nitro-
CAS No: 65199-75-9 Catalog No: AG00H786 MDL No:
Product Description
Catalog Number:
AG00H786
Chemical Name:
2-Heptanone, 4-methyl-5-nitro-
CAS Number:
65199-75-9
Molecular Formula:
C8H15NO3
Molecular Weight:
173.2096
IUPAC Name:
4-methyl-5-nitroheptan-2-one
InChI:
InChI=1S/C8H15NO3/c1-4-8(9(11)12)6(2)5-7(3)10/h6,8H,4-5H2,1-3H3
InChI Key:
SUYBEVJNLWJVDO-UHFFFAOYSA-N
SMILES:
CCC(C(CC(=O)C)C)[N+](=O)[O-]
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.105g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
173.212g/mol
Monoisotopic Mass:
173.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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