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478919-86-7 | 4,7-METHANO-7H-OXAZOLO[4,5-E][1,3]DIAZEPINE
CAS No: 478919-86-7 Catalog No: AG006YNO MDL No:
Product Description
Catalog Number:
AG006YNO
Chemical Name:
4,7-METHANO-7H-OXAZOLO[4,5-E][1,3]DIAZEPINE
CAS Number:
478919-86-7
Molecular Formula:
C7H5N3O
Molecular Weight:
147.1341
IUPAC Name:
5-oxa-3,8,10-triazatricyclo[6.2.1.02,6]undeca-1,3,6,9-tetraene
InChI:
InChI=1S/C7H5N3O/c1-5-7-6(11-4-9-7)2-10(1)3-8-5/h2-4H,1H2
InChI Key:
MTDWSQWDDAVUTG-UHFFFAOYSA-N
SMILES:
c1oc2=CN3CC(=c2n1)N=C3
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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