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20821-96-9 | Isoxazole, 4,5-dihydro-3,5-bis(4-methylphenyl)-
CAS No: 20821-96-9 Catalog No: AG002JL1 MDL No:
Product Description
Catalog Number:
AG002JL1
Chemical Name:
Isoxazole, 4,5-dihydro-3,5-bis(4-methylphenyl)-
CAS Number:
20821-96-9
Molecular Formula:
C17H17NO
Molecular Weight:
251.3230
IUPAC Name:
3,5-bis(4-methylphenyl)-4,5-dihydro-1,2-oxazole
InChI:
InChI=1S/C17H17NO/c1-12-3-7-14(8-4-12)16-11-17(19-18-16)15-9-5-13(2)6-10-15/h3-10,17H,11H2,1-2H3
InChI Key:
VNRWYZSPCCXRKU-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C1ON=C(C1)c1ccc(cc1)C
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.131g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.329g/mol
Monoisotopic Mass:
251.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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