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209974-85-6 | 2H-1-Benzopyran-2-one, 6-hexyl-7-hydroxy-3-(2-phenyl-4-thiazolyl)-
CAS No: 209974-85-6 Catalog No: AG002KHQ MDL No:
Product Description
Catalog Number:
AG002KHQ
Chemical Name:
2H-1-Benzopyran-2-one, 6-hexyl-7-hydroxy-3-(2-phenyl-4-thiazolyl)-
CAS Number:
209974-85-6
Molecular Formula:
C24H23NO3S
Molecular Weight:
405.5093
IUPAC Name:
6-hexyl-7-hydroxy-3-(2-phenyl-1,3-thiazol-4-yl)chromen-2-one
InChI:
InChI=1S/C24H23NO3S/c1-2-3-4-6-11-17-12-18-13-19(24(27)28-22(18)14-21(17)26)20-15-29-23(25-20)16-9-7-5-8-10-16/h5,7-10,12-15,26H,2-4,6,11H2,1H3
InChI Key:
VYSHEXGEQDXRJB-UHFFFAOYSA-N
SMILES:
CCCCCCc1cc2cc(c3csc(n3)c3ccccc3)c(=O)oc2cc1O
Properties
Complexity:
589
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
405.14g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
405.512g/mol
Monoisotopic Mass:
405.14g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9
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