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19926-50-2 | [1,1'-Biphenyl]-3-carboxylic acid, ethyl ester
CAS No: 19926-50-2 Catalog No: AG002C05 MDL No:MFCD00671950
Product Description
Catalog Number:
AG002C05
Chemical Name:
[1,1'-Biphenyl]-3-carboxylic acid, ethyl ester
CAS Number:
19926-50-2
Molecular Formula:
C15H14O2
Molecular Weight:
226.2705
MDL Number:
MFCD00671950
IUPAC Name:
ethyl 3-phenylbenzoate
InChI:
InChI=1S/C15H14O2/c1-2-17-15(16)14-10-6-9-13(11-14)12-7-4-3-5-8-12/h3-11H,2H2,1H3
InChI Key:
UWJOIAKPUPVYPW-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cccc(c1)c1ccccc1
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.099g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.275g/mol
Monoisotopic Mass:
226.099g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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