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201487-42-5 | Isoxazole, 3,5-bis[4-(2-propen-1-yl)phenyl]-
CAS No: 201487-42-5 Catalog No: AG002DFN MDL No:
Product Description
Catalog Number:
AG002DFN
Chemical Name:
Isoxazole, 3,5-bis[4-(2-propen-1-yl)phenyl]-
CAS Number:
201487-42-5
Molecular Formula:
C21H19NO
Molecular Weight:
301.3817
IUPAC Name:
3,5-bis(4-prop-2-enylphenyl)-1,2-oxazole
InChI:
InChI=1S/C21H19NO/c1-3-5-16-7-11-18(12-8-16)20-15-21(23-22-20)19-13-9-17(6-4-2)10-14-19/h3-4,7-15H,1-2,5-6H2
InChI Key:
WQAYTAFZABFYLA-UHFFFAOYSA-N
SMILES:
C=CCc1ccc(cc1)c1onc(c1)c1ccc(cc1)CC=C
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.147g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.389g/mol
Monoisotopic Mass:
301.147g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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