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294661-44-2 | Spiro[furo[3,4-d]isoxazole-6(4H),5'(2'H)-isoxazole] (9CI)
CAS No: 294661-44-2 Catalog No: AG002YH6 MDL No:
Product Description
Catalog Number:
AG002YH6
Chemical Name:
Spiro[furo[3,4-d]isoxazole-6(4H),5'(2'H)-isoxazole] (9CI)
CAS Number:
294661-44-2
Molecular Formula:
C7H6N2O3
Molecular Weight:
166.1341
IUPAC Name:
spiro[2H-1,2-oxazole-5,6'-4H-furo[3,4-d][1,2]oxazole]
InChI:
InChI=1S/C7H6N2O3/c1-2-8-12-7(1)6-5(4-10-7)3-9-11-6/h1-3,8H,4H2
InChI Key:
BSICGUGJKSXHNU-UHFFFAOYSA-N
SMILES:
N1C=CC2(O1)OCc1c2onc1
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.038g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
166.136g/mol
Monoisotopic Mass:
166.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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