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89467-18-5 | 2H-Pyrano[3,2-b]pyridin-2-one, 3,3'-(phenylmethylene)bis[4-hydroxy-
CAS No: 89467-18-5 Catalog No: AG0042JH MDL No:
Product Description
Catalog Number:
AG0042JH
Chemical Name:
2H-Pyrano[3,2-b]pyridin-2-one, 3,3'-(phenylmethylene)bis[4-hydroxy-
CAS Number:
89467-18-5
Molecular Formula:
C23H14N2O6
Molecular Weight:
414.3671
IUPAC Name:
4-hydroxy-3-[(4-hydroxy-2-oxopyrano[3,2-b]pyridin-3-yl)-phenylmethyl]pyrano[3,2-b]pyridin-2-one
InChI:
InChI=1S/C23H14N2O6/c26-20-16(22(28)30-13-8-4-10-24-18(13)20)15(12-6-2-1-3-7-12)17-21(27)19-14(31-23(17)29)9-5-11-25-19/h1-11,15,26-27H
InChI Key:
XAHASOJRRZMBEW-UHFFFAOYSA-N
SMILES:
O=c1oc2cccnc2c(c1C(c1c(=O)oc2c(c1O)nccc2)c1ccccc1)O
Properties
Complexity:
757
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
414.085g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
414.373g/mol
Monoisotopic Mass:
414.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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