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Home > Nitro Compounds > 138668-20-9
138668-20-9 | Cyclohexane, (2-nitro-1-heptenyl)-, (E)- (9CI)
CAS No: 138668-20-9 Catalog No: AG0018YN MDL No:
Product Description
Catalog Number:
AG0018YN
Chemical Name:
Cyclohexane, (2-nitro-1-heptenyl)-, (E)- (9CI)
CAS Number:
138668-20-9
Molecular Formula:
C13H23NO2
Molecular Weight:
225.3272
IUPAC Name:
2-nitrohept-1-enylcyclohexane
InChI:
InChI=1S/C13H23NO2/c1-2-3-5-10-13(14(15)16)11-12-8-6-4-7-9-12/h11-12H,2-10H2,1H3
InChI Key:
KTLANCLSASGCKY-UHFFFAOYSA-N
SMILES:
CCCCC/C(=C\C1CCCCC1)/[N+](=O)[O-]
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.173g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.332g/mol
Monoisotopic Mass:
225.173g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.3
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