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161382-80-5 | 4H,6H-Oxazolo[3',4':1,5]pyrrolo[3,4-d]isoxazole (9CI)
CAS No: 161382-80-5 Catalog No: AG001SF6 MDL No:
Product Description
Catalog Number:
AG001SF6
Chemical Name:
4H,6H-Oxazolo[3',4':1,5]pyrrolo[3,4-d]isoxazole (9CI)
CAS Number:
161382-80-5
Molecular Formula:
C7H6N2O2
Molecular Weight:
150.1347
IUPAC Name:
3,10-dioxa-4,8-diazatricyclo[6.3.0.02,6]undeca-1(11),2(6),4-triene
InChI:
InChI=1S/C7H6N2O2/c1-5-2-9-4-10-3-6(9)7(5)11-8-1/h1,3H,2,4H2
InChI Key:
PRZGFXAXMFPVIL-UHFFFAOYSA-N
SMILES:
C1N2COC=C2c2c1cno2
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.043g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
150.137g/mol
Monoisotopic Mass:
150.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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