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479077-09-3

479077-09-3 | 3-(2-Methoxyphenyl)-5-methyl-6-phenylisoxazolo[4,5-c]pyridin-4(5H)-one

CAS No: 479077-09-3 Catalog No: AG006YFD MDL No:

Product Description

Catalog Number:
AG006YFD
Chemical Name:
3-(2-Methoxyphenyl)-5-methyl-6-phenylisoxazolo[4,5-c]pyridin-4(5H)-one
CAS Number:
479077-09-3
Molecular Formula:
C20H16N2O3
Molecular Weight:
332.3526
IUPAC Name:
3-(2-methoxyphenyl)-5-methyl-6-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one
InChI:
InChI=1S/C20H16N2O3/c1-22-15(13-8-4-3-5-9-13)12-17-18(20(22)23)19(21-25-17)14-10-6-7-11-16(14)24-2/h3-12H,1-2H3
InChI Key:
TXQAGCNICLXMCM-UHFFFAOYSA-N
SMILES:
COc1ccccc1c1noc2c1c(=O)n(c(c2)c1ccccc1)C

Properties

Complexity:
529  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.116g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
332.359g/mol
Monoisotopic Mass:
332.116g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  

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