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304881-10-5 | 7-hydroxy-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2H-chromen-2-one
CAS No: 304881-10-5 Catalog No: AG019MJ4 MDL No:MFCD01553627
Product Description
Catalog Number:
AG019MJ4
Chemical Name:
7-hydroxy-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2H-chromen-2-one
CAS Number:
304881-10-5
Molecular Formula:
C19H13NO4S
Molecular Weight:
351.3758
MDL Number:
MFCD01553627
IUPAC Name:
7-hydroxy-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]chromen-2-one
InChI:
InChI=1S/C19H13NO4S/c1-23-14-6-3-11(4-7-14)16-10-25-18(20-16)15-8-12-2-5-13(21)9-17(12)24-19(15)22/h2-10,21H,1H3
InChI Key:
JKMMPUXYPPUPRJ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1csc(n1)c1cc2ccc(cc2oc1=O)O
Properties
Complexity:
532
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.057g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
351.376g/mol
Monoisotopic Mass:
351.057g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
96.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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