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704-48-3 | 1,5-Benzoxazepin-4(5H)-one, 2,3-dihydro-
CAS No: 704-48-3 Catalog No: AG005IWD MDL No:MFCD09832136
Product Description
Catalog Number:
AG005IWD
Chemical Name:
1,5-Benzoxazepin-4(5H)-one, 2,3-dihydro-
CAS Number:
704-48-3
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
MDL Number:
MFCD09832136
IUPAC Name:
3,5-dihydro-2H-1,5-benzoxazepin-4-one
InChI:
InChI=1S/C9H9NO2/c11-9-5-6-12-8-4-2-1-3-7(8)10-9/h1-4H,5-6H2,(H,10,11)
InChI Key:
VQUQMVAKPPWYNT-UHFFFAOYSA-N
SMILES:
O=C1CCOc2c(N1)cccc2
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.063g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
163.176g/mol
Monoisotopic Mass:
163.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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