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20723-84-6 | [1,1'-Biphenyl]-4-acetic acid, α-ethyl-, 2-methoxyphenyl ester
CAS No: 20723-84-6 Catalog No: AG002IXC MDL No:
Product Description
Catalog Number:
AG002IXC
Chemical Name:
[1,1'-Biphenyl]-4-acetic acid, α-ethyl-, 2-methoxyphenyl ester
CAS Number:
20723-84-6
Molecular Formula:
C23H22O3
Molecular Weight:
346.4190
IUPAC Name:
(2-methoxyphenyl) 2-(4-phenylphenyl)butanoate
InChI:
InChI=1S/C23H22O3/c1-3-20(23(24)26-22-12-8-7-11-21(22)25-2)19-15-13-18(14-16-19)17-9-5-4-6-10-17/h4-16,20H,3H2,1-2H3
InChI Key:
HSCJXYVNGVOWMN-UHFFFAOYSA-N
SMILES:
CCC(C(=O)Oc1ccccc1OC)c1ccc(cc1)c1ccccc1
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.157g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
346.426g/mol
Monoisotopic Mass:
346.157g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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