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139387-03-4 | [1,1'-Biphenyl]-4-carboxylic acid, 4'-ethoxy-3,5-dimethyl-
CAS No: 139387-03-4 Catalog No: AG001AX6 MDL No:
Product Description
Catalog Number:
AG001AX6
Chemical Name:
[1,1'-Biphenyl]-4-carboxylic acid, 4'-ethoxy-3,5-dimethyl-
CAS Number:
139387-03-4
Molecular Formula:
C17H18O3
Molecular Weight:
270.3230
IUPAC Name:
4-(4-ethoxyphenyl)-2,6-dimethylbenzoic acid
InChI:
InChI=1S/C17H18O3/c1-4-20-15-7-5-13(6-8-15)14-9-11(2)16(17(18)19)12(3)10-14/h5-10H,4H2,1-3H3,(H,18,19)
InChI Key:
OEGMWPHNXDWGFR-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1)c1cc(C)c(c(c1)C)C(=O)O
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.126g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
270.328g/mol
Monoisotopic Mass:
270.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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