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Home > Nitro Compounds > 162299-82-3
162299-82-3 | 4H-Pyran-4-one, 2,3-dihydro-2-(4-nitrophenyl)-, (2S)-
CAS No: 162299-82-3 Catalog No: AG001SYY MDL No:
Product Description
Catalog Number:
AG001SYY
Chemical Name:
4H-Pyran-4-one, 2,3-dihydro-2-(4-nitrophenyl)-, (2S)-
CAS Number:
162299-82-3
Molecular Formula:
C11H9NO4
Molecular Weight:
219.1935
IUPAC Name:
(2S)-2-(4-nitrophenyl)-2,3-dihydropyran-4-one
InChI:
InChI=1S/C11H9NO4/c13-10-5-6-16-11(7-10)8-1-3-9(4-2-8)12(14)15/h1-6,11H,7H2/t11-/m0/s1
InChI Key:
RRBOKXHTDFJHPB-NSHDSACASA-N
SMILES:
O=C1C=CO[C@@H](C1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
219.053g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.196g/mol
Monoisotopic Mass:
219.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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