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66780-41-4 | 7-hydroxy-2,6-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)-4H-chromen-4-one
CAS No: 66780-41-4 Catalog No: AG01ACHR MDL No:MFCD00710200
Product Description
Catalog Number:
AG01ACHR
Chemical Name:
7-hydroxy-2,6-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)-4H-chromen-4-one
CAS Number:
66780-41-4
Molecular Formula:
C15H13NO3S
Molecular Weight:
287.3336
MDL Number:
MFCD00710200
IUPAC Name:
7-hydroxy-2,6-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)chromen-4-one
InChI:
InChI=1S/C15H13NO3S/c1-7-4-10-13(5-12(7)17)19-8(2)14(15(10)18)11-6-20-9(3)16-11/h4-6,17H,1-3H3
InChI Key:
QYKSBIZYPYAIQF-UHFFFAOYSA-N
SMILES:
Cc1scc(n1)c1c(C)oc2c(c1=O)cc(c(c2)O)C
Properties
Complexity:
450
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.062g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
287.333g/mol
Monoisotopic Mass:
287.062g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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