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51625-87-7 | 4H-1-Benzopyran-4-one, 7-hydroxy-2-methyl-3-(4-thiazolyl)-
CAS No: 51625-87-7 Catalog No: AG006URF MDL No:
Product Description
Catalog Number:
AG006URF
Chemical Name:
4H-1-Benzopyran-4-one, 7-hydroxy-2-methyl-3-(4-thiazolyl)-
CAS Number:
51625-87-7
Molecular Formula:
C13H9NO3S
Molecular Weight:
259.2805
IUPAC Name:
7-hydroxy-2-methyl-3-(1,3-thiazol-4-yl)chromen-4-one
InChI:
InChI=1S/C13H9NO3S/c1-7-12(10-5-18-6-14-10)13(16)9-3-2-8(15)4-11(9)17-7/h2-6,15H,1H3
InChI Key:
VDUYGHUXKAQBOW-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)oc(c(c2=O)c1cscn1)C
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.03g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.279g/mol
Monoisotopic Mass:
259.03g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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