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67633-29-8 | 4,8-Etheno-2H-cyclohept[d]isoxazole(9CI)
CAS No: 67633-29-8 Catalog No: AG00FO4S MDL No:
Product Description
Catalog Number:
AG00FO4S
Chemical Name:
4,8-Etheno-2H-cyclohept[d]isoxazole(9CI)
CAS Number:
67633-29-8
IUPAC Name:
3-oxa-4-azatricyclo[5.3.2.02,6]dodeca-1,5,7,9,11-pentaene
InChI:
InChI=1S/C10H7NO/c1-2-7-4-5-8(3-1)10-9(7)6-11-12-10/h1-6,11H
InChI Key:
PEMFWSRGJVQFJJ-UHFFFAOYSA-N
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.053g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
157.172g/mol
Monoisotopic Mass:
157.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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