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478919-93-6 | 4,7-Methano-7H-isoxazolo[4,5-e][1,3]diazepine(9CI)
CAS No: 478919-93-6 Catalog No: AG00E789 MDL No:
Product Description
Catalog Number:
AG00E789
Chemical Name:
4,7-Methano-7H-isoxazolo[4,5-e][1,3]diazepine(9CI)
CAS Number:
478919-93-6
IUPAC Name:
5-oxa-4,8,10-triazatricyclo[6.2.1.02,6]undeca-1,3,6,9-tetraene
InChI:
InChI=1S/C7H5N3O/c1-5-6-2-10(4-8-6)3-7(5)11-9-1/h1,3-4H,2H2
InChI Key:
FCZIBQRXUIDWOO-UHFFFAOYSA-N
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.043g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
147.137g/mol
Monoisotopic Mass:
147.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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