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5748-42-5 | 4'-(tert-Butyl);-[1,1'-biphenyl]-4-carboxylic acid
CAS No: 5748-42-5 Catalog No: AG003KAJ MDL No:MFCD01631300
Product Description
Catalog Number:
AG003KAJ
Chemical Name:
4'-(tert-Butyl);-[1,1'-biphenyl]-4-carboxylic acid
CAS Number:
5748-42-5
Molecular Formula:
C17H18O2
Molecular Weight:
254.3236
MDL Number:
MFCD01631300
IUPAC Name:
4-(4-tert-butylphenyl)benzoic acid
InChI:
InChI=1S/C17H18O2/c1-17(2,3)15-10-8-13(9-11-15)12-4-6-14(7-5-12)16(18)19/h4-11H,1-3H3,(H,18,19)
InChI Key:
HZIOPONJCVOCFE-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)c1ccc(cc1)C(C)(C)C
Properties
Complexity:
300
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:
5.5
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