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Home > Pyridines > 128782-31-0
128782-31-0 | 5H-1,4-Dioxepino[5,6-c]pyridine (9CI)
CAS No: 128782-31-0 Catalog No: AG000YDJ MDL No:
Product Description
Catalog Number:
AG000YDJ
Chemical Name:
5H-1,4-Dioxepino[5,6-c]pyridine (9CI)
CAS Number:
128782-31-0
Molecular Formula:
C8H7NO2
Molecular Weight:
149.1467
IUPAC Name:
5H-[1,4]dioxepino[5,6-c]pyridine
InChI:
InChI=1S/C8H7NO2/c1-2-9-5-8-7(1)6-10-3-4-11-8/h1-5H,6H2
InChI Key:
FLLMWGKEPCMTET-UHFFFAOYSA-N
SMILES:
C1=COc2c(CO1)ccnc2
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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