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Home > Nitro Compounds > 264224-65-9
264224-65-9 | 2-Butanone, 4-hydroxy-4-(4-nitrophenyl)-, (4R)-
CAS No: 264224-65-9 Catalog No: AG002T59 MDL No:
Product Description
Catalog Number:
AG002T59
Chemical Name:
2-Butanone, 4-hydroxy-4-(4-nitrophenyl)-, (4R)-
CAS Number:
264224-65-9
Molecular Formula:
C10H11NO4
Molecular Weight:
209.1986
IUPAC Name:
(4R)-4-hydroxy-4-(4-nitrophenyl)butan-2-one
InChI:
InChI=1S/C10H11NO4/c1-7(12)6-10(13)8-2-4-9(5-3-8)11(14)15/h2-5,10,13H,6H2,1H3/t10-/m1/s1
InChI Key:
DKESASVLMZGECV-SNVBAGLBSA-N
SMILES:
CC(=O)C[C@H](c1ccc(cc1)[N+](=O)[O-])O
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
209.069g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
209.201g/mol
Monoisotopic Mass:
209.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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