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Home > Nitro Compounds > 873316-12-2
873316-12-2 | 2H-Pyran-2-one, 5,6-dihydro-6-[(1E)-2-(4-nitrophenyl)ethenyl]-, (6S)-
CAS No: 873316-12-2 Catalog No: AG004L1S MDL No:
Product Description
Catalog Number:
AG004L1S
Chemical Name:
2H-Pyran-2-one, 5,6-dihydro-6-[(1E)-2-(4-nitrophenyl)ethenyl]-, (6S)-
CAS Number:
873316-12-2
Molecular Formula:
C13H11NO4
Molecular Weight:
245.2307
IUPAC Name:
(2S)-2-[2-(4-nitrophenyl)ethenyl]-2,3-dihydropyran-6-one
InChI:
InChI=1S/C13H11NO4/c15-13-3-1-2-12(18-13)9-6-10-4-7-11(8-5-10)14(16)17/h1,3-9,12H,2H2/t12-/m0/s1
InChI Key:
UANUUUGGDKRWDE-LBPRGKRZSA-N
SMILES:
O=C1C=CC[C@H](O1)/C=C/c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
245.069g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.234g/mol
Monoisotopic Mass:
245.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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