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Home > Nitro Compounds > 877032-08-1
877032-08-1 | Cyclohexanone, 2-[(R)-hydroxy(2-nitrophenyl)methyl]-, (2S)-
CAS No: 877032-08-1 Catalog No: AG004NCI MDL No:
Product Description
Catalog Number:
AG004NCI
Chemical Name:
Cyclohexanone, 2-[(R)-hydroxy(2-nitrophenyl)methyl]-, (2S)-
CAS Number:
877032-08-1
Molecular Formula:
C13H15NO4
Molecular Weight:
249.2625
IUPAC Name:
(2S)-2-[(R)-hydroxy-(2-nitrophenyl)methyl]cyclohexan-1-one
InChI:
InChI=1S/C13H15NO4/c15-12-8-4-2-6-10(12)13(16)9-5-1-3-7-11(9)14(17)18/h1,3,5,7,10,13,16H,2,4,6,8H2/t10-,13+/m1/s1
InChI Key:
CQUCPYRFCCLXKV-MFKMUULPSA-N
SMILES:
O=C1CCCC[C@H]1[C@H](c1ccccc1[N+](=O)[O-])O
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
249.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.266g/mol
Monoisotopic Mass:
249.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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