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114772-36-0 | [1,1'-Biphenyl]-2-carboxylic acid, 4'-methyl-, 1,1-dimethylethyl ester
CAS No: 114772-36-0 Catalog No: AG000F71 MDL No:MFCD04973964
Product Description
Catalog Number:
AG000F71
Chemical Name:
[1,1'-Biphenyl]-2-carboxylic acid, 4'-methyl-, 1,1-dimethylethyl ester
CAS Number:
114772-36-0
Molecular Formula:
C18H20O2
Molecular Weight:
268.3502
MDL Number:
MFCD04973964
IUPAC Name:
tert-butyl 2-(4-methylphenyl)benzoate
InChI:
InChI=1S/C18H20O2/c1-13-9-11-14(12-10-13)15-7-5-6-8-16(15)17(19)20-18(2,3)4/h5-12H,1-4H3
InChI Key:
OWEDFWZJRNPJIV-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1ccccc1C(=O)OC(C)(C)C
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.146g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.356g/mol
Monoisotopic Mass:
268.146g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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