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20724-13-4 | [1,1'-Biphenyl]-4-acetic acid, α-ethyl-, 5-methyl-2-(1-methylethyl)phenyl ester
CAS No: 20724-13-4 Catalog No: AG002IX9 MDL No:
Product Description
Catalog Number:
AG002IX9
Chemical Name:
[1,1'-Biphenyl]-4-acetic acid, α-ethyl-, 5-methyl-2-(1-methylethyl)phenyl ester
CAS Number:
20724-13-4
Molecular Formula:
C26H28O2
Molecular Weight:
372.4993
IUPAC Name:
(5-methyl-2-propan-2-ylphenyl) 2-(4-phenylphenyl)butanoate
InChI:
InChI=1S/C26H28O2/c1-5-23(22-14-12-21(13-15-22)20-9-7-6-8-10-20)26(27)28-25-17-19(4)11-16-24(25)18(2)3/h6-18,23H,5H2,1-4H3
InChI Key:
GNBAJEWDTRDVTA-UHFFFAOYSA-N
SMILES:
CCC(C(=O)Oc1cc(C)ccc1C(C)C)c1ccc(cc1)c1ccccc1
Properties
Complexity:
471
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.209g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
372.508g/mol
Monoisotopic Mass:
372.209g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7.3
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