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13243-54-4 | 4H-Cyclopent[d]isoxazole, 5,6-dihydro-3-phenyl-
CAS No: 13243-54-4 Catalog No: AG0010OR MDL No:
Product Description
Catalog Number:
AG0010OR
Chemical Name:
4H-Cyclopent[d]isoxazole, 5,6-dihydro-3-phenyl-
CAS Number:
13243-54-4
Molecular Formula:
C12H11NO
Molecular Weight:
185.2218
IUPAC Name:
3-phenyl-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole
InChI:
InChI=1S/C12H11NO/c1-2-5-9(6-3-1)12-10-7-4-8-11(10)14-13-12/h1-3,5-6H,4,7-8H2
InChI Key:
DICLDVWWWGBOOB-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1noc2c1CCC2
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.084g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.226g/mol
Monoisotopic Mass:
185.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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