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Home > Nitro Compounds > 17448-52-1
17448-52-1 | Cyclohexane, 1-methyl-2-nitro-, cis- (8CI,9CI)
CAS No: 17448-52-1 Catalog No: AG001ZOV MDL No:
Product Description
Catalog Number:
AG001ZOV
Chemical Name:
Cyclohexane, 1-methyl-2-nitro-, cis- (8CI,9CI)
CAS Number:
17448-52-1
Molecular Formula:
C7H13NO2
Molecular Weight:
143.1836
IUPAC Name:
(1R,2S)-1-methyl-2-nitrocyclohexane
InChI:
InChI=1S/C7H13NO2/c1-6-4-2-3-5-7(6)8(9)10/h6-7H,2-5H2,1H3/t6-,7+/m1/s1
InChI Key:
SPJKZWXNYUTHOZ-RQJHMYQMSA-N
SMILES:
C[C@@H]1CCCC[C@@H]1[N+](=O)[O-]
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
143.095g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
143.186g/mol
Monoisotopic Mass:
143.095g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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