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89389-63-9 | [1,1'-Biphenyl]-4-carboxylic acid, 4'-butoxy-, 2-methylbutyl ester
CAS No: 89389-63-9 Catalog No: AG003WKJ MDL No:
Product Description
Catalog Number:
AG003WKJ
Chemical Name:
[1,1'-Biphenyl]-4-carboxylic acid, 4'-butoxy-, 2-methylbutyl ester
CAS Number:
89389-63-9
Molecular Formula:
C22H28O3
Molecular Weight:
340.4559
IUPAC Name:
2-methylbutyl 4-(4-butoxyphenyl)benzoate
InChI:
InChI=1S/C22H28O3/c1-4-6-15-24-21-13-11-19(12-14-21)18-7-9-20(10-8-18)22(23)25-16-17(3)5-2/h7-14,17H,4-6,15-16H2,1-3H3
InChI Key:
NHEJIMADJRNGLT-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(cc1)c1ccc(cc1)C(=O)OCC(CC)C
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.204g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
340.463g/mol
Monoisotopic Mass:
340.204g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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