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250-59-9 | Furo[3,4-d]isoxazole (8CI,9CI)
CAS No: 250-59-9 Catalog No: AG002Q57 MDL No:
Product Description
Catalog Number:
AG002Q57
Chemical Name:
Furo[3,4-d]isoxazole (8CI,9CI)
CAS Number:
250-59-9
Molecular Formula:
C5H3NO2
Molecular Weight:
109.0828
IUPAC Name:
furo[3,4-d][1,2]oxazole
InChI:
InChI=1S/C5H3NO2/c1-4-2-7-3-5(4)8-6-1/h1-3H
InChI Key:
PNHGJECEMPJBQG-UHFFFAOYSA-N
SMILES:
o1cc2c(c1)cno2
Properties
Complexity:
96.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
109.016g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
109.084g/mol
Monoisotopic Mass:
109.016g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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