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1267772-70-2 | 2,3-Dihydro-3,3-dimethyl-1,5-benzoxazepin-4(5H)-one
CAS No: 1267772-70-2 Catalog No: AG01FGHW MDL No:
Product Description
Catalog Number:
AG01FGHW
Chemical Name:
2,3-Dihydro-3,3-dimethyl-1,5-benzoxazepin-4(5H)-one
CAS Number:
1267772-70-2
IUPAC Name:
3,3-dimethyl-2,5-dihydro-1,5-benzoxazepin-4-one
InChI:
InChI=1S/C11H13NO2/c1-11(2)7-14-9-6-4-3-5-8(9)12-10(11)13/h3-6H,7H2,1-2H3,(H,12,13)
InChI Key:
SBOHHBHFRLQYOI-UHFFFAOYSA-N
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.23g/mol
Monoisotopic Mass:
191.095g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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