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90328-95-3 | Furo[2,3-d]isoxazole, 3a,5,6,6a-tetrahydro-3-phenyl-
CAS No: 90328-95-3 Catalog No: AG006FML MDL No:
Product Description
Catalog Number:
AG006FML
Chemical Name:
Furo[2,3-d]isoxazole, 3a,5,6,6a-tetrahydro-3-phenyl-
CAS Number:
90328-95-3
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
IUPAC Name:
3-phenyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,2]oxazole
InChI:
InChI=1S/C11H11NO2/c1-2-4-8(5-3-1)10-11-9(14-12-10)6-7-13-11/h1-5,9,11H,6-7H2
InChI Key:
RWXCNEQHIQHRAG-UHFFFAOYSA-N
SMILES:
C1CC2C(O1)C(=NO2)c1ccccc1
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.214g/mol
Monoisotopic Mass:
189.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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