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789-76-4 | 4-[2-(4-QUINOLINYL)VINYL]PHENOL
CAS No: 789-76-4 Catalog No: AG008NCR MDL No:
Product Description
Catalog Number:
AG008NCR
Chemical Name:
4-[2-(4-QUINOLINYL)VINYL]PHENOL
CAS Number:
789-76-4
Molecular Formula:
C17H13NO
Molecular Weight:
247.2912
IUPAC Name:
4-(2-quinolin-4-ylethenyl)phenol
InChI:
InChI=1S/C17H13NO/c19-15-9-6-13(7-10-15)5-8-14-11-12-18-17-4-2-1-3-16(14)17/h1-12,19H
InChI Key:
AMPIAJAEPGYBAA-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)C=Cc1ccnc2c1cccc2
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.1g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.297g/mol
Monoisotopic Mass:
247.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.2
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