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209974-81-2 | 2H-1-Benzopyran-2-one, 7-hydroxy-3-(2-phenyl-4-thiazolyl)-
CAS No: 209974-81-2 Catalog No: AG002KHR MDL No:
Product Description
Catalog Number:
AG002KHR
Chemical Name:
2H-1-Benzopyran-2-one, 7-hydroxy-3-(2-phenyl-4-thiazolyl)-
CAS Number:
209974-81-2
Molecular Formula:
C18H11NO3S
Molecular Weight:
321.3498
IUPAC Name:
7-hydroxy-3-(2-phenyl-1,3-thiazol-4-yl)chromen-2-one
InChI:
InChI=1S/C18H11NO3S/c20-13-7-6-12-8-14(18(21)22-16(12)9-13)15-10-23-17(19-15)11-4-2-1-3-5-11/h1-10,20H
InChI Key:
DJKJVBXUPKIHNR-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)oc(=O)c(c2)c1csc(n1)c1ccccc1
Properties
Complexity:
489
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.046g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
321.35g/mol
Monoisotopic Mass:
321.046g/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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