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14206-95-2 | 2H-1-Benzopyran-3-carboxamide, 4-hydroxy-2-oxo-N-phenyl-
CAS No: 14206-95-2 Catalog No: AG001HOS MDL No:
Product Description
Catalog Number:
AG001HOS
Chemical Name:
2H-1-Benzopyran-3-carboxamide, 4-hydroxy-2-oxo-N-phenyl-
CAS Number:
14206-95-2
Molecular Formula:
C16H11NO4
Molecular Weight:
281.2628
IUPAC Name:
4-hydroxy-2-oxo-N-phenylchromene-3-carboxamide
InChI:
InChI=1S/C16H11NO4/c18-14-11-8-4-5-9-12(11)21-16(20)13(14)15(19)17-10-6-2-1-3-7-10/h1-9,18H,(H,17,19)
InChI Key:
KDCNDSOTCXDFJC-UHFFFAOYSA-N
SMILES:
O=C(c1c(=O)oc2c(c1O)cccc2)Nc1ccccc1
Properties
Complexity:
465
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.069g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
281.267g/mol
Monoisotopic Mass:
281.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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