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168619-12-3 | [1,1'-Biphenyl]-3-carboxylic acid, 3'-cyano-, methyl ester
CAS No: 168619-12-3 Catalog No: AG001Y6O MDL No:MFCD05978889
Product Description
Catalog Number:
AG001Y6O
Chemical Name:
[1,1'-Biphenyl]-3-carboxylic acid, 3'-cyano-, methyl ester
CAS Number:
168619-12-3
Molecular Formula:
C15H11NO2
Molecular Weight:
237.2533
MDL Number:
MFCD05978889
IUPAC Name:
methyl 3-(3-cyanophenyl)benzoate
InChI:
InChI=1S/C15H11NO2/c1-18-15(17)14-7-3-6-13(9-14)12-5-2-4-11(8-12)10-16/h2-9H,1H3
InChI Key:
GSUUESGOWAPLGP-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc(c1)c1cccc(c1)C#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:
3.8
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