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653601-89-9 | Isoxazole, 4,5-dihydro-5-(4-methoxyphenyl)-5-methyl-3-(2-naphthalenyl)-
CAS No: 653601-89-9 Catalog No: AG006RYO MDL No:
Product Description
Catalog Number:
AG006RYO
Chemical Name:
Isoxazole, 4,5-dihydro-5-(4-methoxyphenyl)-5-methyl-3-(2-naphthalenyl)-
CAS Number:
653601-89-9
Molecular Formula:
C21H19NO2
Molecular Weight:
317.3811
IUPAC Name:
5-(4-methoxyphenyl)-5-methyl-3-naphthalen-2-yl-4H-1,2-oxazole
InChI:
InChI=1S/C21H19NO2/c1-21(18-9-11-19(23-2)12-10-18)14-20(22-24-21)17-8-7-15-5-3-4-6-16(15)13-17/h3-13H,14H2,1-2H3
InChI Key:
CDXMYSMPIVGUSY-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C1(C)ON=C(C1)c1ccc2c(c1)cccc2
Properties
Complexity:
469
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.142g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.388g/mol
Monoisotopic Mass:
317.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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