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858035-49-1 | [1,1'-Biphenyl]-2-carboxylic acid, 4'-methoxy-, ethyl ester
CAS No: 858035-49-1 Catalog No: AG004RKF MDL No:
Product Description
Catalog Number:
AG004RKF
Chemical Name:
[1,1'-Biphenyl]-2-carboxylic acid, 4'-methoxy-, ethyl ester
CAS Number:
858035-49-1
Molecular Formula:
C16H16O3
Molecular Weight:
256.2964
IUPAC Name:
ethyl 2-(4-methoxyphenyl)benzoate
InChI:
InChI=1S/C16H16O3/c1-3-19-16(17)15-7-5-4-6-14(15)12-8-10-13(18-2)11-9-12/h4-11H,3H2,1-2H3
InChI Key:
ZIFCEGMYRZZOLS-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccccc1c1ccc(cc1)OC
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.11g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.301g/mol
Monoisotopic Mass:
256.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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