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98458-39-0 | 4H-1-Benzopyran-4-one, 7-(formyloxy)-3-(2-methyl-4-thiazolyl)-
CAS No: 98458-39-0 Catalog No: AG005UY1 MDL No:
Product Description
Catalog Number:
AG005UY1
Chemical Name:
4H-1-Benzopyran-4-one, 7-(formyloxy)-3-(2-methyl-4-thiazolyl)-
CAS Number:
98458-39-0
Molecular Formula:
C14H9NO4S
Molecular Weight:
287.2906
IUPAC Name:
[3-(2-methyl-1,3-thiazol-4-yl)-4-oxochromen-7-yl] formate
InChI:
InChI=1S/C14H9NO4S/c1-8-15-12(6-20-8)11-5-18-13-4-9(19-7-16)2-3-10(13)14(11)17/h2-7H,1H3
InChI Key:
VZUQVCBGKPGRGP-UHFFFAOYSA-N
SMILES:
O=COc1ccc2c(c1)occ(c2=O)c1csc(n1)C
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.025g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.289g/mol
Monoisotopic Mass:
287.025g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
93.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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