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15676-55-8 | Dibenz[b,e][1,4]oxazepin-11(5H)-one
CAS No: 15676-55-8 Catalog No: AG001OYV MDL No:
Product Description
Catalog Number:
AG001OYV
Chemical Name:
Dibenz[b,e][1,4]oxazepin-11(5H)-one
CAS Number:
15676-55-8
Molecular Formula:
C13H9NO2
Molecular Weight:
211.2161
IUPAC Name:
11H-benzo[c][1,5]benzoxazepin-6-one
InChI:
InChI=1S/C13H9NO2/c15-13-9-5-1-2-6-10(9)14-11-7-3-4-8-12(11)16-13/h1-8,14H
InChI Key:
XYQBOGPVDVTLSN-UHFFFAOYSA-N
SMILES:
O=C1Oc2ccccc2Nc2c1cccc2
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:
1
Isotope Atom Count:
0
Molecular Weight:
211.22g/mol
Monoisotopic Mass:
211.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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