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844439-20-9 | 2H-1-Benzopyran-2-one, 4-hydroxy-3-(5-thiazolylazo)-
CAS No: 844439-20-9 Catalog No: AG008I76 MDL No:
Product Description
Catalog Number:
AG008I76
Chemical Name:
2H-1-Benzopyran-2-one, 4-hydroxy-3-(5-thiazolylazo)-
CAS Number:
844439-20-9
Molecular Formula:
C12H7N3O3S
Molecular Weight:
273.2673
IUPAC Name:
4-hydroxy-3-(1,3-thiazol-5-yldiazenyl)chromen-2-one
InChI:
InChI=1S/C12H7N3O3S/c16-11-7-3-1-2-4-8(7)18-12(17)10(11)15-14-9-5-13-6-19-9/h1-6,16H
InChI Key:
HMFPAKPOJMBBLN-UHFFFAOYSA-N
SMILES:
O=c1oc2ccccc2c(c1N=Nc1cncs1)O
Properties
Complexity:
438
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.021g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.266g/mol
Monoisotopic Mass:
273.021g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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