3-(3,5-Dimethylphenyl)phenylacetic acid - CAS 1334500-03-6
Catalog: |
BB066805 |
Product Name: |
3-(3,5-Dimethylphenyl)phenylacetic acid |
CAS: |
1334500-03-6 |
Synonyms: |
3-(3,5-Dimethylphenyl)phenylacetic acid; 2-(3',5'-Dimethyl-[1,1'-biphenyl]-3-yl)acetic acid; 2-[3-(3,5-dimethylphenyl)phenyl]acetic acid; 2-(3',5'-Dimethyl-[1,1'-biphenyl]-3-yl)aceticacid |
IUPAC Name: | 2-[3-(3,5-dimethylphenyl)phenyl]acetic acid |
Description: | 3-(3,5-Dimethylphenyl)phenylacetic acid |
Molecular Weight: | 240.3 |
Molecular Formula: | C16H16O2 |
Canonical SMILES: | CC1=CC(=CC(=C1)C2=CC=CC(=C2)CC(=O)O)C |
InChI: | InChI=1S/C16H16O2/c1-11-6-12(2)8-15(7-11)14-5-3-4-13(9-14)10-16(17)18/h3-9H,10H2,1-2H3,(H,17,18) |
InChI Key: | OEYCTWRGFOPQOG-UHFFFAOYSA-N |
Complexity: | 277 |
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: | 3 |
Topological Polar Surface Area: | 37.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.9 |
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