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Home > Nitro Compounds > 87974-52-5
87974-52-5 | Ethanone, 1-(2-hydroxy-5-nitrophenyl)-, oxime, (E)-
CAS No: 87974-52-5 Catalog No: AG004PAU MDL No:MFCD00218663
Product Description
Catalog Number:
AG004PAU
Chemical Name:
Ethanone, 1-(2-hydroxy-5-nitrophenyl)-, oxime, (E)-
CAS Number:
87974-52-5
Molecular Formula:
C8H8N2O4
Molecular Weight:
196.1601
MDL Number:
MFCD00218663
IUPAC Name:
2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-nitrophenol
InChI:
InChI=1S/C8H8N2O4/c1-5(9-12)7-4-6(10(13)14)2-3-8(7)11/h2-4,11-12H,1H3/b9-5+
InChI Key:
QEWSCTJCAJBQAJ-WEVVVXLNSA-N
SMILES:
O/N=C(/c1cc(ccc1O)[N+](=O)[O-])\C
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
196.048g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
196.162g/mol
Monoisotopic Mass:
196.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
98.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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