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Home > Pyridines > 158537-79-2
158537-79-2 | 4H-1,3-Dioxino[4,5-b]pyridine (9CI)
CAS No: 158537-79-2 Catalog No: AG001Q9G MDL No:
Product Description
Catalog Number:
AG001Q9G
Chemical Name:
4H-1,3-Dioxino[4,5-b]pyridine (9CI)
CAS Number:
158537-79-2
Molecular Formula:
C7H7NO2
Molecular Weight:
137.1360
IUPAC Name:
4H-[1,3]dioxino[4,5-b]pyridine
InChI:
InChI=1S/C7H7NO2/c1-2-6-4-9-5-10-7(6)8-3-1/h1-3H,4-5H2
InChI Key:
GMCAUOODURIFMZ-UHFFFAOYSA-N
SMILES:
C1OCc2c(O1)nccc2
Properties
Complexity:
118
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.048g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
137.138g/mol
Monoisotopic Mass:
137.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
31.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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