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138019-87-1 | 4H-1-Benzopyran-4-one, 3-hydroxy-2-[2-(4-methylphenyl)-4-thiazolyl]-
CAS No: 138019-87-1 Catalog No: AG0017UO MDL No:
Product Description
Catalog Number:
AG0017UO
Chemical Name:
4H-1-Benzopyran-4-one, 3-hydroxy-2-[2-(4-methylphenyl)-4-thiazolyl]-
CAS Number:
138019-87-1
Molecular Formula:
C19H13NO3S
Molecular Weight:
335.3764
IUPAC Name:
3-hydroxy-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]chromen-4-one
InChI:
InChI=1S/C19H13NO3S/c1-11-6-8-12(9-7-11)19-20-14(10-24-19)18-17(22)16(21)13-4-2-3-5-15(13)23-18/h2-10,22H,1H3
InChI Key:
XAVRAXVITLIXKC-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1scc(n1)c1oc2ccccc2c(=O)c1O
Properties
Complexity:
527
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.062g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
335.377g/mol
Monoisotopic Mass:
335.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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