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88735-49-3 | 2H-1-Benzopyran-2-one, 3-[2-(4-methylphenyl)-4-thiazolyl]-
CAS No: 88735-49-3 Catalog No: AG00466B MDL No:
Product Description
Catalog Number:
AG00466B
Chemical Name:
2H-1-Benzopyran-2-one, 3-[2-(4-methylphenyl)-4-thiazolyl]-
CAS Number:
88735-49-3
Molecular Formula:
C19H13NO2S
Molecular Weight:
319.3770
IUPAC Name:
3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]chromen-2-one
InChI:
InChI=1S/C19H13NO2S/c1-12-6-8-13(9-7-12)18-20-16(11-23-18)15-10-14-4-2-3-5-17(14)22-19(15)21/h2-11H,1H3
InChI Key:
ZHRZODHNWYHZIF-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1scc(n1)c1cc2ccccc2oc1=O
Properties
Complexity:
484
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.067g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.378g/mol
Monoisotopic Mass:
319.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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