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86098-69-3 | Phenol, 2-methoxy-4-[2-(4-quinolinyl)ethenyl]-
CAS No: 86098-69-3 Catalog No: AG008FIX MDL No:
Product Description
Catalog Number:
AG008FIX
Chemical Name:
Phenol, 2-methoxy-4-[2-(4-quinolinyl)ethenyl]-
CAS Number:
86098-69-3
Molecular Formula:
C18H15NO2
Molecular Weight:
277.3172
IUPAC Name:
2-methoxy-4-[(E)-2-quinolin-4-ylethenyl]phenol
InChI:
InChI=1S/C18H15NO2/c1-21-18-12-13(7-9-17(18)20)6-8-14-10-11-19-16-5-3-2-4-15(14)16/h2-12,20H,1H3/b8-6+
InChI Key:
NSXXYNBIGMHMLS-SOFGYWHQSA-N
SMILES:
COc1cc(ccc1O)C=Cc1ccnc2c1cccc2
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
277.11g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.323g/mol
Monoisotopic Mass:
277.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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