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429676-65-3 | 5,9-METHANOIMIDAZO[1,5-D][1,4]OXAZEPINE
CAS No: 429676-65-3 Catalog No: AG00709X MDL No:
Product Description
Catalog Number:
AG00709X
Chemical Name:
5,9-METHANOIMIDAZO[1,5-D][1,4]OXAZEPINE
CAS Number:
429676-65-3
Molecular Formula:
C8H6N2O
Molecular Weight:
146.1460
IUPAC Name:
9-oxa-2,4-diazatricyclo[5.3.1.02,6]undeca-1(10),3,5,7-tetraene
InChI:
InChI=1S/C8H6N2O/c1-6-3-11-4-7(1)10-5-9-2-8(6)10/h2-5H,1H2
InChI Key:
FFBSHUURUQJOOP-UHFFFAOYSA-N
SMILES:
O1C=C2CC(=C1)c1n2cnc1
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.048g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
146.149g/mol
Monoisotopic Mass:
146.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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