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84392-26-7 | 4'-(tert-Butyl)-[1,1'-biphenyl]-2-carboxylic acid
CAS No: 84392-26-7 Catalog No: AG004SUG MDL No:MFCD06802636
Product Description
Catalog Number:
AG004SUG
Chemical Name:
4'-(tert-Butyl)-[1,1'-biphenyl]-2-carboxylic acid
CAS Number:
84392-26-7
Molecular Formula:
C17H18O2
Molecular Weight:
254.3236
MDL Number:
MFCD06802636
IUPAC Name:
2-(4-tert-butylphenyl)benzoic acid
InChI:
InChI=1S/C17H18O2/c1-17(2,3)13-10-8-12(9-11-13)14-6-4-5-7-15(14)16(18)19/h4-11H,1-3H3,(H,18,19)
InChI Key:
WYIJUURMGVBXEM-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1c1ccc(cc1)C(C)(C)C
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.131g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.329g/mol
Monoisotopic Mass:
254.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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