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Home > Nitro Compounds > 748788-67-2
748788-67-2 | Cyclohexanone, 2-[(1R)-1-(2-methoxyphenyl)-2-nitroethyl]-, (2S)-
CAS No: 748788-67-2 Catalog No: AG0058C4 MDL No:
Product Description
Catalog Number:
AG0058C4
Chemical Name:
Cyclohexanone, 2-[(1R)-1-(2-methoxyphenyl)-2-nitroethyl]-, (2S)-
CAS Number:
748788-67-2
Molecular Formula:
C15H19NO4
Molecular Weight:
277.3157
IUPAC Name:
(2S)-2-[(1R)-1-(2-methoxyphenyl)-2-nitroethyl]cyclohexan-1-one
InChI:
InChI=1S/C15H19NO4/c1-20-15-9-5-3-7-12(15)13(10-16(18)19)11-6-2-4-8-14(11)17/h3,5,7,9,11,13H,2,4,6,8,10H2,1H3/t11-,13+/m0/s1
InChI Key:
ZVUZXFHQYIMROB-WCQYABFASA-N
SMILES:
COc1ccccc1[C@@H]([C@@H]1CCCCC1=O)C[N+](=O)[O-]
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
277.131g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.32g/mol
Monoisotopic Mass:
277.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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