(4-Methoxy-2,5-dimethylphenyl)acetic acid - CAS 104216-78-6
Catalog: |
BB060040 |
Product Name: |
(4-Methoxy-2,5-dimethylphenyl)acetic acid |
CAS: |
104216-78-6 |
Synonyms: |
(4-methoxy-2,5-dimethylphenyl)acetic acid; 2-(4-methoxy-2,5-dimethylphenyl)acetic acid; 2,5-Dimethyl-4-methoxyphenylacetic acid |
IUPAC Name: | 2-(4-methoxy-2,5-dimethylphenyl)acetic acid |
Description: | (4-Methoxy-2,5-dimethylphenyl)acetic acid |
Molecular Weight: | 194.23 |
Molecular Formula: | C11H14O3 |
Canonical SMILES: | CC1=CC(=C(C=C1OC)C)CC(=O)O |
InChI: | InChI=1S/C11H14O3/c1-7-5-10(14-3)8(2)4-9(7)6-11(12)13/h4-5H,6H2,1-3H3,(H,12,13) |
InChI Key: | BZYRUMRNNRVIAW-UHFFFAOYSA-N |
Complexity: | 203 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 194.094294304 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.094294304 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 46.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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