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51625-88-8 | 4H-1-Benzopyran-4-one, 7-hydroxy-2-methyl-3-(2-methyl-4-thiazolyl)-
CAS No: 51625-88-8 Catalog No: AG006URE MDL No:
Product Description
Catalog Number:
AG006URE
Chemical Name:
4H-1-Benzopyran-4-one, 7-hydroxy-2-methyl-3-(2-methyl-4-thiazolyl)-
CAS Number:
51625-88-8
Molecular Formula:
C14H11NO3S
Molecular Weight:
273.3070
IUPAC Name:
7-hydroxy-2-methyl-3-(2-methyl-1,3-thiazol-4-yl)chromen-4-one
InChI:
InChI=1S/C14H11NO3S/c1-7-13(11-6-19-8(2)15-11)14(17)10-4-3-9(16)5-12(10)18-7/h3-6,16H,1-2H3
InChI Key:
MJCKCCIARMUASR-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)oc(c(c2=O)c1csc(n1)C)C
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.046g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.306g/mol
Monoisotopic Mass:
273.046g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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