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Home > Pyridines > 114283-32-8
114283-32-8 | 5H-[1]Benzopyrano[4,3-b]pyridine-3-carbonitrile, 2-methoxy-4-phenyl-
CAS No: 114283-32-8 Catalog No: AG000AYS MDL No:
Product Description
Catalog Number:
AG000AYS
Chemical Name:
5H-[1]Benzopyrano[4,3-b]pyridine-3-carbonitrile, 2-methoxy-4-phenyl-
CAS Number:
114283-32-8
Molecular Formula:
C20H14N2O2
Molecular Weight:
314.3374
IUPAC Name:
2-methoxy-4-phenyl-5H-chromeno[4,3-b]pyridine-3-carbonitrile
InChI:
InChI=1S/C20H14N2O2/c1-23-20-15(11-21)18(13-7-3-2-4-8-13)16-12-24-17-10-6-5-9-14(17)19(16)22-20/h2-10H,12H2,1H3
InChI Key:
RQSGZYRKXUHXBE-UHFFFAOYSA-N
SMILES:
COc1nc2c3ccccc3OCc2c(c1C#N)c1ccccc1
Properties
Complexity:
481
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.106g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.344g/mol
Monoisotopic Mass:
314.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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