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88953-52-0 | Oxazolo[3,2-a]azepine, octahydro-2-phenyl-
CAS No: 88953-52-0 Catalog No: AG0047TL MDL No:
Product Description
Catalog Number:
AG0047TL
Chemical Name:
Oxazolo[3,2-a]azepine, octahydro-2-phenyl-
CAS Number:
88953-52-0
Molecular Formula:
C14H19NO
Molecular Weight:
217.3068
IUPAC Name:
2-phenyl-2,3,5,6,7,8,9,9a-octahydro-[1,3]oxazolo[3,2-a]azepine
InChI:
InChI=1S/C14H19NO/c1-3-7-12(8-4-1)13-11-15-10-6-2-5-9-14(15)16-13/h1,3-4,7-8,13-14H,2,5-6,9-11H2
InChI Key:
HCLABNKYUDYPTH-UHFFFAOYSA-N
SMILES:
C1CCN2C(CC1)OC(C2)c1ccccc1
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.147g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.312g/mol
Monoisotopic Mass:
217.147g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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