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88234-85-9 | 6H-Pyrano[3,4-b]pyridine-5,8-dione
CAS No: 88234-85-9 Catalog No: AG004B5O MDL No:
Product Description
Catalog Number:
AG004B5O
Chemical Name:
6H-Pyrano[3,4-b]pyridine-5,8-dione
CAS Number:
88234-85-9
Molecular Formula:
C8H5NO3
Molecular Weight:
163.1302
IUPAC Name:
pyrano[3,4-b]pyridine-5,8-dione
InChI:
InChI=1S/C8H5NO3/c10-6-4-12-8(11)7-5(6)2-1-3-9-7/h1-3H,4H2
InChI Key:
SVOVNYUVHCCYRJ-UHFFFAOYSA-N
SMILES:
O=C1COC(=O)c2c1cccn2
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.027g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
163.132g/mol
Monoisotopic Mass:
163.027g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
56.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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