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55942-68-2 | benzo[6,7]oxepino[3,4-b]pyridin-5(11H)-one
CAS No: 55942-68-2 Catalog No: AG01DJPH MDL No:
Product Description
Catalog Number:
AG01DJPH
Chemical Name:
benzo[6,7]oxepino[3,4-b]pyridin-5(11H)-one
CAS Number:
55942-68-2
Molecular Formula:
C13H9NO2
Molecular Weight:
211.2161
IUPAC Name:
5H-[1]benzoxepino[3,4-b]pyridin-11-one
InChI:
InChI=1S/C13H9NO2/c15-13-9-5-3-7-14-11(9)8-16-12-6-2-1-4-10(12)13/h1-7H,8H2
InChI Key:
YIZIHPKZDAOPLJ-UHFFFAOYSA-N
SMILES:
O=C1c2ccccc2OCc2c1cccn2
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.063g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.22g/mol
Monoisotopic Mass:
211.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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