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1215206-04-4 | [1,1'-Biphenyl]-3-carboxylic acid, 3'-(1,1-dimethylethyl)-
CAS No: 1215206-04-4 Catalog No: AG001565 MDL No:MFCD15143490
Product Description
Catalog Number:
AG001565
Chemical Name:
[1,1'-Biphenyl]-3-carboxylic acid, 3'-(1,1-dimethylethyl)-
CAS Number:
1215206-04-4
Molecular Formula:
C17H18O2
Molecular Weight:
254.3236
MDL Number:
MFCD15143490
IUPAC Name:
3-(3-tert-butylphenyl)benzoic acid
InChI:
InChI=1S/C17H18O2/c1-17(2,3)15-9-5-7-13(11-15)12-6-4-8-14(10-12)16(18)19/h4-11H,1-3H3,(H,18,19)
InChI Key:
CIFFSZLDSORYNG-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)c1cccc(c1)C(C)(C)C
Properties
Complexity:
316
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:
4.7
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