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823227-15-2 | Benzonitrile, 2-[6-(4-hydroxyphenyl)-3-hexene-1,5-diynyl]-
CAS No: 823227-15-2 Catalog No: AG00548O MDL No:
Product Description
Catalog Number:
AG00548O
Chemical Name:
Benzonitrile, 2-[6-(4-hydroxyphenyl)-3-hexene-1,5-diynyl]-
CAS Number:
823227-15-2
Molecular Formula:
C19H11NO
Molecular Weight:
269.2967
IUPAC Name:
2-[6-(4-hydroxyphenyl)hex-3-en-1,5-diynyl]benzonitrile
InChI:
InChI=1S/C19H11NO/c20-15-18-10-6-5-9-17(18)8-4-2-1-3-7-16-11-13-19(21)14-12-16/h1-2,5-6,9-14,21H
InChI Key:
RBOQNEGHFXVJPN-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1C#CC=CC#Cc1ccc(cc1)O
Properties
Complexity:
545
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.084g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.303g/mol
Monoisotopic Mass:
269.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.3
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