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168618-65-3 | [1,1'-Biphenyl]-3-carboxylic acid, 2'-cyano-, methyl ester
CAS No: 168618-65-3 Catalog No: AG001Y6W MDL No:MFCD05980890
Product Description
Catalog Number:
AG001Y6W
Chemical Name:
[1,1'-Biphenyl]-3-carboxylic acid, 2'-cyano-, methyl ester
CAS Number:
168618-65-3
Molecular Formula:
C15H11NO2
Molecular Weight:
237.2533
MDL Number:
MFCD05980890
IUPAC Name:
methyl 3-(2-cyanophenyl)benzoate
InChI:
InChI=1S/C15H11NO2/c1-18-15(17)12-7-4-6-11(9-12)14-8-3-2-5-13(14)10-16/h2-9H,1H3
InChI Key:
YDXNZJLIYUWQBJ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc(c1)c1ccccc1C#N
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.079g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.258g/mol
Monoisotopic Mass:
237.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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