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82301-27-7 | Oxazole, 4,5-diphenyl-2-(2-propynyloxy)-
CAS No: 82301-27-7 Catalog No: AG008L41 MDL No:
Product Description
Catalog Number:
AG008L41
Chemical Name:
Oxazole, 4,5-diphenyl-2-(2-propynyloxy)-
CAS Number:
82301-27-7
Molecular Formula:
C18H13NO2
Molecular Weight:
275.3013
IUPAC Name:
4,5-diphenyl-2-prop-2-ynoxy-1,3-oxazole
InChI:
InChI=1S/C18H13NO2/c1-2-13-20-18-19-16(14-9-5-3-6-10-14)17(21-18)15-11-7-4-8-12-15/h1,3-12H,13H2
InChI Key:
RQXDJNQJAFUTII-UHFFFAOYSA-N
SMILES:
C#CCOc1nc(c(o1)c1ccccc1)c1ccccc1
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.095g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.307g/mol
Monoisotopic Mass:
275.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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