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51625-89-9 | 4H-1-Benzopyran-4-one, 7-hydroxy-2-methyl-3-(2-phenyl-4-thiazolyl)-
CAS No: 51625-89-9 Catalog No: AG006URD MDL No:
Product Description
Catalog Number:
AG006URD
Chemical Name:
4H-1-Benzopyran-4-one, 7-hydroxy-2-methyl-3-(2-phenyl-4-thiazolyl)-
CAS Number:
51625-89-9
Molecular Formula:
C19H13NO3S
Molecular Weight:
335.3764
IUPAC Name:
7-hydroxy-2-methyl-3-(2-phenyl-1,3-thiazol-4-yl)chromen-4-one
InChI:
InChI=1S/C19H13NO3S/c1-11-17(18(22)14-8-7-13(21)9-16(14)23-11)15-10-24-19(20-15)12-5-3-2-4-6-12/h2-10,21H,1H3
InChI Key:
JXOHIYJCUOEEOQ-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)oc(c(c2=O)c1csc(n1)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:
335.062g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
335.377g/mol
Monoisotopic Mass:
335.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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