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87696-49-9 | Oxazole, 5-(3-butenyloxy)-2-phenyl-
CAS No: 87696-49-9 Catalog No: AG004K7J MDL No:
Product Description
Catalog Number:
AG004K7J
Chemical Name:
Oxazole, 5-(3-butenyloxy)-2-phenyl-
CAS Number:
87696-49-9
Molecular Formula:
C13H13NO2
Molecular Weight:
215.2478
IUPAC Name:
5-but-3-enoxy-2-phenyl-1,3-oxazole
InChI:
InChI=1S/C13H13NO2/c1-2-3-9-15-12-10-14-13(16-12)11-7-5-4-6-8-11/h2,4-8,10H,1,3,9H2
InChI Key:
WSHSELOONVYVTB-UHFFFAOYSA-N
SMILES:
C=CCCOc1cnc(o1)c1ccccc1
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.095g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.252g/mol
Monoisotopic Mass:
215.095g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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