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318-81-0 | 2,6-Methano-4H-1,4-benzoxazocine
CAS No: 318-81-0 Catalog No: AG00CZ6I MDL No:
Product Description
Catalog Number:
AG00CZ6I
Chemical Name:
2,6-Methano-4H-1,4-benzoxazocine
CAS Number:
318-81-0
IUPAC Name:
8-oxa-11-azatricyclo[7.3.1.02,7]trideca-1(12),2,4,6,9-pentaene
InChI:
InChI=1S/C11H9NO/c1-2-4-11-10(3-1)8-5-9(13-11)7-12-6-8/h1-4,6-7,12H,5H2
InChI Key:
UIBGNLSOYHHJEE-UHFFFAOYSA-N
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.068g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
171.199g/mol
Monoisotopic Mass:
171.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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