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Home > Nitro Compounds > 22963-72-0
22963-72-0 | 2-Hepten-4-one, 2,6-dimethyl-6-nitroso-
CAS No: 22963-72-0 Catalog No: AG002LPS MDL No:
Product Description
Catalog Number:
AG002LPS
Chemical Name:
2-Hepten-4-one, 2,6-dimethyl-6-nitroso-
CAS Number:
22963-72-0
Molecular Formula:
C9H15NO2
Molecular Weight:
169.2209
IUPAC Name:
2,6-dimethyl-6-nitrosohept-2-en-4-one
InChI:
InChI=1S/C9H15NO2/c1-7(2)5-8(11)6-9(3,4)10-12/h5H,6H2,1-4H3
InChI Key:
UPNRGHRTSDHGFR-UHFFFAOYSA-N
SMILES:
O=NC(CC(=O)C=C(C)C)(C)C
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.11g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.224g/mol
Monoisotopic Mass:
169.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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