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767322-17-8 | 5,8-Methano-8H-oxazolo[3,2-d][1,4]oxazepine(9CI)
CAS No: 767322-17-8 Catalog No: AG005VJD MDL No:
Product Description
Catalog Number:
AG005VJD
Chemical Name:
5,8-Methano-8H-oxazolo[3,2-d][1,4]oxazepine(9CI)
CAS Number:
767322-17-8
Molecular Formula:
C8H7NO2
Molecular Weight:
149.1467
IUPAC Name:
5,9-dioxa-2-azatricyclo[6.2.1.02,6]undeca-1(10),3,6-triene
InChI:
InChI=1S/C8H7NO2/c1-2-10-8-4-7-3-6(5-11-7)9(1)8/h1-2,4-5,7H,3H2
InChI Key:
HAQIGYPWXZYUKN-UHFFFAOYSA-N
SMILES:
C1C2OC=C1n1c(=C2)occ1
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.048g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
149.149g/mol
Monoisotopic Mass:
149.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
21.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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