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889879-72-5 | 5H-[1]Benzopyrano[2,3-b]pyridin-5-one, 7-methoxy-2-methyl-, 1-oxide
CAS No: 889879-72-5 Catalog No: AG00467R MDL No:
Product Description
Catalog Number:
AG00467R
Chemical Name:
5H-[1]Benzopyrano[2,3-b]pyridin-5-one, 7-methoxy-2-methyl-, 1-oxide
CAS Number:
889879-72-5
Molecular Formula:
C14H11NO4
Molecular Weight:
257.2414
IUPAC Name:
7-methoxy-2-methyl-1-oxidochromeno[2,3-b]pyridin-1-ium-5-one
InChI:
InChI=1S/C14H11NO4/c1-8-3-5-10-13(16)11-7-9(18-2)4-6-12(11)19-14(10)15(8)17/h3-7H,1-2H3
InChI Key:
PZFAXJMIXQEEEP-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(=O)c1c(o2)[n+]([O-])c(cc1)C
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.069g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.245g/mol
Monoisotopic Mass:
257.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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