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111559-89-8 | 1H,3H-Azeto[1',2':1,5]pyrrolo[3,4-c]isoxazole(9CI)
CAS No: 111559-89-8 Catalog No: AG00827M MDL No:
Product Description
Catalog Number:
AG00827M
Chemical Name:
1H,3H-Azeto[1',2':1,5]pyrrolo[3,4-c]isoxazole(9CI)
CAS Number:
111559-89-8
Molecular Formula:
C7H6N2O
Molecular Weight:
134.1353
IUPAC Name:
9-oxa-5,8-diazatricyclo[5.3.0.02,5]deca-1,3,6-triene
InChI:
InChI=1S/C7H6N2O/c1-2-9-3-6-5(7(1)9)4-10-8-6/h1-3,8H,4H2
InChI Key:
XXMDRPRJYOAJPT-UHFFFAOYSA-N
SMILES:
O1Nc2c(C1)c1n(c2)C=C1
Properties
Complexity:
192
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:
26.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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