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114772-34-8 | [1,1'-Biphenyl]-2-carboxylic acid, 4'-methyl-, methyl ester
CAS No: 114772-34-8 Catalog No: AG000F72 MDL No:MFCD03453661
Product Description
Catalog Number:
AG000F72
Chemical Name:
[1,1'-Biphenyl]-2-carboxylic acid, 4'-methyl-, methyl ester
CAS Number:
114772-34-8
Molecular Formula:
C15H14O2
Molecular Weight:
226.2705
MDL Number:
MFCD03453661
IUPAC Name:
methyl 2-(4-methylphenyl)benzoate
InChI:
InChI=1S/C15H14O2/c1-11-7-9-12(10-8-11)13-5-3-4-6-14(13)15(16)17-2/h3-10H,1-2H3
InChI Key:
IHNIAWHITVGYJJ-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccccc1c1ccc(cc1)C
EC Number:
601-324-0
Properties
Complexity:
254
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:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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