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Home > Nitro Compounds > 74609-82-8
74609-82-8 | Cyclohexanone, 3,5,5-trimethyl-2-nitro-, trans-
CAS No: 74609-82-8 Catalog No: AG005J44 MDL No:
Product Description
Catalog Number:
AG005J44
Chemical Name:
Cyclohexanone, 3,5,5-trimethyl-2-nitro-, trans-
CAS Number:
74609-82-8
Molecular Formula:
C9H15NO3
Molecular Weight:
185.2203
IUPAC Name:
(2S,3R)-3,5,5-trimethyl-2-nitrocyclohexan-1-one
InChI:
InChI=1S/C9H15NO3/c1-6-4-9(2,3)5-7(11)8(6)10(12)13/h6,8H,4-5H2,1-3H3/t6-,8+/m1/s1
InChI Key:
BMLDIOZTYLEOBJ-SVRRBLITSA-N
SMILES:
C[C@@H]1CC(C)(C)CC(=O)[C@H]1[N+](=O)[O-]
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
185.105g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.223g/mol
Monoisotopic Mass:
185.105g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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