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87503-73-9 | Acetamide, N-[4-(2-oxo-2H-1-benzopyran-3-yl)-2-thiazolyl]-
CAS No: 87503-73-9 Catalog No: AG004I14 MDL No:
Product Description
Catalog Number:
AG004I14
Chemical Name:
Acetamide, N-[4-(2-oxo-2H-1-benzopyran-3-yl)-2-thiazolyl]-
CAS Number:
87503-73-9
Molecular Formula:
C14H10N2O3S
Molecular Weight:
286.3058
IUPAC Name:
N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide
InChI:
InChI=1S/C14H10N2O3S/c1-8(17)15-14-16-11(7-20-14)10-6-9-4-2-3-5-12(9)19-13(10)18/h2-7H,1H3,(H,15,16,17)
InChI Key:
LULPVEOWNXAQKO-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1scc(n1)c1cc2ccccc2oc1=O
Properties
Complexity:
452
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.041g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
286.305g/mol
Monoisotopic Mass:
286.041g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
96.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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