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Home > Pyridines > 128782-32-1
128782-32-1 | 5H-1,4-Dioxepino[6,5-b]pyridine (9CI)
CAS No: 128782-32-1 Catalog No: AG000YER MDL No:
Product Description
Catalog Number:
AG000YER
Chemical Name:
5H-1,4-Dioxepino[6,5-b]pyridine (9CI)
CAS Number:
128782-32-1
Molecular Formula:
C8H7NO2
Molecular Weight:
149.1467
IUPAC Name:
5H-[1,4]dioxepino[6,5-b]pyridine
InChI:
InChI=1S/C8H7NO2/c1-2-8-7(9-3-1)6-10-4-5-11-8/h1-5H,6H2
InChI Key:
RWLLHYJGAYZZPJ-UHFFFAOYSA-N
SMILES:
C1=COc2c(CO1)nccc2
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.048g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
149.149g/mol
Monoisotopic Mass:
149.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
31.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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