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50870-56-9 | Cyclohexanone, 3-(nitromethyl)-
CAS No: 50870-56-9 Catalog No: AG00I949 MDL No:
Product Description
Catalog Number:
AG00I949
Chemical Name:
Cyclohexanone, 3-(nitromethyl)-
CAS Number:
50870-56-9
IUPAC Name:
3-(nitromethyl)cyclohexan-1-one
InChI:
InChI=1S/C7H11NO3/c9-7-3-1-2-6(4-7)5-8(10)11/h6H,1-5H2
InChI Key:
KZRJSGQVSDJUFG-UHFFFAOYSA-N
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.074g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
157.169g/mol
Monoisotopic Mass:
157.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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