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131454-49-4 | 5-Isoxazoleacetic acid, 3,4-bis(4-methoxyphenyl)-, methyl ester
CAS No: 131454-49-4 Catalog No: AG000W7U MDL No:
Product Description
Catalog Number:
AG000W7U
Chemical Name:
5-Isoxazoleacetic acid, 3,4-bis(4-methoxyphenyl)-, methyl ester
CAS Number:
131454-49-4
Molecular Formula:
C20H19NO5
Molecular Weight:
353.3686
IUPAC Name:
methyl 2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetate
InChI:
InChI=1S/C20H19NO5/c1-23-15-8-4-13(5-9-15)19-17(12-18(22)25-3)26-21-20(19)14-6-10-16(24-2)11-7-14/h4-11H,12H2,1-3H3
InChI Key:
GMMZHQIUFDUEPA-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1c(onc1c1ccc(cc1)OC)CC(=O)OC
Properties
Complexity:
444
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.126g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
353.374g/mol
Monoisotopic Mass:
353.126g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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