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105066-62-4 | Oxazolo[3,2-a][1,3]diazepine(9CI)
CAS No: 105066-62-4 Catalog No: AG007X4Q MDL No:
Product Description
Catalog Number:
AG007X4Q
Chemical Name:
Oxazolo[3,2-a][1,3]diazepine(9CI)
CAS Number:
105066-62-4
Molecular Formula:
C7H6N2O
Molecular Weight:
134.1353
IUPAC Name:
[1,3]oxazolo[3,2-a][1,3]diazepine
InChI:
InChI=1S/C7H6N2O/c1-2-4-9-5-6-10-7(9)8-3-1/h1-6H
InChI Key:
JOEWITALKOCJAI-UHFFFAOYSA-N
SMILES:
C1=CN=c2n(C=C1)cco2
Properties
Complexity:
250
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:
0
Isotope Atom Count:
0
Molecular Weight:
134.138g/mol
Monoisotopic Mass:
134.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
24.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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