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128505-67-9 | Benzonitrile, 4-[2-(4-hydroxyphenyl)ethenyl]-
CAS No: 128505-67-9 Catalog No: AG000Y5K MDL No:
Product Description
Catalog Number:
AG000Y5K
Chemical Name:
Benzonitrile, 4-[2-(4-hydroxyphenyl)ethenyl]-
CAS Number:
128505-67-9
Molecular Formula:
C15H11NO
Molecular Weight:
221.2539
IUPAC Name:
4-[2-(4-hydroxyphenyl)ethenyl]benzonitrile
InChI:
InChI=1S/C15H11NO/c16-11-14-5-3-12(4-6-14)1-2-13-7-9-15(17)10-8-13/h1-10,17H
InChI Key:
VBJOQNKBUYXGLJ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)C=Cc1ccc(cc1)O
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.084g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.259g/mol
Monoisotopic Mass:
221.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.6
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