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Home > Nitro Compounds > 1226-74-0
1226-74-0 | Benzeneacetonitrile, α-[(4-hydroxyphenyl)methylene]-4-nitro-
CAS No: 1226-74-0 Catalog No: AG0017J6 MDL No:
Product Description
Catalog Number:
AG0017J6
Chemical Name:
Benzeneacetonitrile, α-[(4-hydroxyphenyl)methylene]-4-nitro-
CAS Number:
1226-74-0
Molecular Formula:
C15H10N2O3
Molecular Weight:
266.2515
IUPAC Name:
(Z)-3-(4-hydroxyphenyl)-2-(4-nitrophenyl)prop-2-enenitrile
InChI:
InChI=1S/C15H10N2O3/c16-10-13(9-11-1-7-15(18)8-2-11)12-3-5-14(6-4-12)17(19)20/h1-9,18H/b13-9+
InChI Key:
XQQQEGKTKATSSO-UKTHLTGXSA-N
SMILES:
N#CC(=Cc1ccc(cc1)O)c1ccc(cc1)[N+](=O)[O-]
NSC Number:
90369
Properties
Complexity:
416
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
266.069g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
266.256g/mol
Monoisotopic Mass:
266.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
89.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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