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Home > Nitro Compounds > 100859-82-3
100859-82-3 | Cyclohexene, 1-methyl-5-nitro-
CAS No: 100859-82-3 Catalog No: AG00030Z MDL No:
Product Description
Catalog Number:
AG00030Z
Chemical Name:
Cyclohexene, 1-methyl-5-nitro-
CAS Number:
100859-82-3
Molecular Formula:
C7H11NO2
Molecular Weight:
141.1677
IUPAC Name:
1-methyl-5-nitrocyclohexene
InChI:
InChI=1S/C7H11NO2/c1-6-3-2-4-7(5-6)8(9)10/h3,7H,2,4-5H2,1H3
InChI Key:
DFKSYNJTFYWYAF-UHFFFAOYSA-N
SMILES:
CC1=CCCC(C1)[N+](=O)[O-]
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.079g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
141.17g/mol
Monoisotopic Mass:
141.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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