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849546-11-8 | 1,3-Isoquinolinedicarbonitrile, 6-methoxy-4-phenyl-
CAS No: 849546-11-8 Catalog No: AG004V5Y MDL No:
Product Description
Catalog Number:
AG004V5Y
Chemical Name:
1,3-Isoquinolinedicarbonitrile, 6-methoxy-4-phenyl-
CAS Number:
849546-11-8
Molecular Formula:
C18H11N3O
Molecular Weight:
285.2994
IUPAC Name:
6-methoxy-4-phenylisoquinoline-1,3-dicarbonitrile
InChI:
InChI=1S/C18H11N3O/c1-22-13-7-8-14-15(9-13)18(12-5-3-2-4-6-12)17(11-20)21-16(14)10-19/h2-9H,1H3
InChI Key:
OEZWXLKHKUHGLT-UHFFFAOYSA-N
SMILES:
N#Cc1nc(C#N)c2c(c1c1ccccc1)cc(cc2)OC
Properties
Complexity:
481
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.09g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.306g/mol
Monoisotopic Mass:
285.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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