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1261923-72-1 | [1,1'-Biphenyl]-4-carboxylic acid, 4'-(1,1-dimethylethyl)-2-methyl-
CAS No: 1261923-72-1 Catalog No: AG000S5P MDL No:MFCD18321107
Product Description
Catalog Number:
AG000S5P
Chemical Name:
[1,1'-Biphenyl]-4-carboxylic acid, 4'-(1,1-dimethylethyl)-2-methyl-
CAS Number:
1261923-72-1
Molecular Formula:
C18H20O2
Molecular Weight:
268.3502
MDL Number:
MFCD18321107
IUPAC Name:
4-(4-tert-butylphenyl)-3-methylbenzoic acid
InChI:
InChI=1S/C18H20O2/c1-12-11-14(17(19)20)7-10-16(12)13-5-8-15(9-6-13)18(2,3)4/h5-11H,1-4H3,(H,19,20)
InChI Key:
WVKGRFBQUHRTHJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1)C)c1ccc(cc1)C(C)(C)C
Properties
Complexity:
334
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:
1
Isotope Atom Count:
0
Molecular Weight:
268.356g/mol
Monoisotopic Mass:
268.146g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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