3',5,5'-Trimethyl-[1,1'-biphenyl]-3-carboxylic Acid - CAS 1708844-74-9
Catalog: |
BB056877 |
Product Name: |
3',5,5'-Trimethyl-[1,1'-biphenyl]-3-carboxylic Acid |
CAS: |
1708844-74-9 |
Synonyms: |
3',5,5'-Trimethyl-[1,1'-biphenyl]-3-carboxylic acid; 3-(3,5-dimethylphenyl)-5-methylbenzoic acid; 3',5,5'-Trimethyl-[1,1'-biphenyl]-3-carboxylicacid |
IUPAC Name: | 3-(3,5-dimethylphenyl)-5-methylbenzoic acid |
Description: | 3',5,5'-Trimethyl-[1,1'-biphenyl]-3-carboxylic Acid is a useful reagent for organic synthesis. |
Molecular Weight: | 240.3 |
Molecular Formula: | C16H16O2 |
Canonical SMILES: | CC1=CC(=CC(=C1)C2=CC(=CC(=C2)C)C(=O)O)C |
InChI: | InChI=1S/C16H16O2/c1-10-4-11(2)6-13(5-10)14-7-12(3)8-15(9-14)16(17)18/h4-9H,1-3H3,(H,17,18) |
InChI Key: | JTYVXTDJTBQSPS-UHFFFAOYSA-N |
Complexity: | 290 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 240.115029749 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 240.115029749 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.2 |
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