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89444-57-5 | 2H-Pyrano[2,3-c]pyridin-2-one, 3,3'-methylenebis[4-hydroxy-
CAS No: 89444-57-5 Catalog No: AG004377 MDL No:
Product Description
Catalog Number:
AG004377
Chemical Name:
2H-Pyrano[2,3-c]pyridin-2-one, 3,3'-methylenebis[4-hydroxy-
CAS Number:
89444-57-5
Molecular Formula:
C17H10N2O6
Molecular Weight:
338.2711
IUPAC Name:
4-hydroxy-3-[(4-hydroxy-2-oxopyrano[2,3-c]pyridin-3-yl)methyl]pyrano[2,3-c]pyridin-2-one
InChI:
InChI=1S/C17H10N2O6/c20-14-8-1-3-18-6-12(8)24-16(22)10(14)5-11-15(21)9-2-4-19-7-13(9)25-17(11)23/h1-4,6-7,20-21H,5H2
InChI Key:
JOOHFJLSNBOCTF-UHFFFAOYSA-N
SMILES:
O=c1oc2cnccc2c(c1Cc1c(=O)oc2c(c1O)ccnc2)O
Properties
Complexity:
614
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.054g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
338.275g/mol
Monoisotopic Mass:
338.054g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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