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70729-53-2 | 4,7-Methanoazeto[3,2-f]-1,2-benzisoxazole(9CI)
CAS No: 70729-53-2 Catalog No: AG00FUCT MDL No:
Product Description
Catalog Number:
AG00FUCT
Chemical Name:
4,7-Methanoazeto[3,2-f]-1,2-benzisoxazole(9CI)
CAS Number:
70729-53-2
IUPAC Name:
3-oxa-4,10-diazatetracyclo[5.4.1.02,6.08,11]dodeca-1,4,6,8,10-pentaene
InChI:
InChI=1S/C9H4N2O/c1-4-6-2-10-8(6)5(1)9-7(4)3-11-12-9/h2-3H,1H2
InChI Key:
OPRBKWDCIIPSET-UHFFFAOYSA-N
Properties
Complexity:
475
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.032g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
156.144g/mol
Monoisotopic Mass:
156.032g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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