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86710-08-9 | 3-(3-(HYDROXY(OXIDO)AMINO)PHENYL)-2-(4-METHYLPHENYL)ACRYLONITRILE
CAS No: 86710-08-9 Catalog No: AG004KJC MDL No:
Product Description
Catalog Number:
AG004KJC
Chemical Name:
3-(3-(HYDROXY(OXIDO)AMINO)PHENYL)-2-(4-METHYLPHENYL)ACRYLONITRILE
CAS Number:
86710-08-9
Molecular Formula:
C16H13N2O2-
Molecular Weight:
265.2866
IUPAC Name:
(Z)-2-(4-methylphenyl)-3-(3-nitrophenyl)prop-2-enenitrile
InChI:
InChI=1S/C16H12N2O2/c1-12-5-7-14(8-6-12)15(11-17)9-13-3-2-4-16(10-13)18(19)20/h2-10H,1H3/b15-9+
InChI Key:
PJJARSYRNWSUPJ-OQLLNIDSSA-N
SMILES:
N#CC(=Cc1cccc(c1)N(O)[O-])c1ccc(cc1)C
NSC Number:
201980
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
264.09g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.284g/mol
Monoisotopic Mass:
264.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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