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Home > Imidazoles > 873917-84-1
873917-84-1 | 1H-Oxepino[4,5-d]imidazole(9CI)
CAS No: 873917-84-1 Catalog No: AG004JVK MDL No:
Product Description
Catalog Number:
AG004JVK
Chemical Name:
1H-Oxepino[4,5-d]imidazole(9CI)
CAS Number:
873917-84-1
Molecular Formula:
C7H6N2O
Molecular Weight:
134.1353
IUPAC Name:
1H-oxepino[4,5-d]imidazole
InChI:
InChI=1S/C7H6N2O/c1-3-10-4-2-7-6(1)8-5-9-7/h1-5H,(H,8,9)
InChI Key:
RJBSXFQFJYTKSD-UHFFFAOYSA-N
SMILES:
O1C=Cc2c(C=C1)nc[nH]2
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
134.048g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
134.138g/mol
Monoisotopic Mass:
134.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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