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88537-37-5 | Isoxazole, 3,5-bis[2-(4-methoxyphenyl)ethyl]-
CAS No: 88537-37-5 Catalog No: AG00894S MDL No:
Product Description
Catalog Number:
AG00894S
Chemical Name:
Isoxazole, 3,5-bis[2-(4-methoxyphenyl)ethyl]-
CAS Number:
88537-37-5
Molecular Formula:
C21H23NO3
Molecular Weight:
337.4122
IUPAC Name:
3,5-bis[2-(4-methoxyphenyl)ethyl]-1,2-oxazole
InChI:
InChI=1S/C21H23NO3/c1-23-19-10-4-16(5-11-19)3-9-18-15-21(25-22-18)14-8-17-6-12-20(24-2)13-7-17/h4-7,10-13,15H,3,8-9,14H2,1-2H3
InChI Key:
HLTWJWKNEMNGHF-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CCc1onc(c1)CCc1ccc(cc1)OC
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.168g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
337.419g/mol
Monoisotopic Mass:
337.168g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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