3,5-Dimethyl-4-methoxybenzoic acid - CAS 21553-46-8
Catalog: |
BB016958 |
Product Name: |
3,5-Dimethyl-4-methoxybenzoic acid |
CAS: |
21553-46-8 |
Synonyms: |
Benzoic acid, 4-methoxy-3,5-dimethyl-; p-Anisic acid, 3,5-dimethyl-; 3,5-Dimethyl-p-anisic acid |
IUPAC Name: | 4-methoxy-3,5-dimethylbenzoic acid |
Molecular Weight: | 180.20 |
Molecular Formula: | C10H12O3 |
Canonical SMILES: | CC1=CC(=CC(=C1OC)C)C(=O)O |
InChI: | InChI=1S/C10H12O3/c1-6-4-8(10(11)12)5-7(2)9(6)13-3/h4-5H,1-3H3,(H,11,12) |
InChI Key: | WXVQURJGDUNJCS-UHFFFAOYSA-N |
Boiling Point: | 293.5±35.0°C at 760 mmHg |
Melting Point: | 192-193°C |
Purity: | 95% |
Density: | 1.136±0.06 g/cm3 |
Solubility: | Soluble in Methanol |
Appearance: | White to Brown Crystalline Solid |
Storage: | Store at RT |
MDL: | MFCD00020309 |
LogP: | 2.01020 |
GHS Hazard Statement: | H301 (97.44%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P310, P305+P351+P338, P321, P330, P337+P313, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
US-2020055824-A1 | Wdr5-mll1 inhibitors and modulators | 20180816 |
US-10807959-B2 | WDR5-MLL1 inhibitors and modulators | 20180816 |
US-2020024537-A1 | Low viscosity low volatility benzoate monoester lubricating oil base stocks and methods of use thereof | 20180222 |
WO-2019164763-A1 | Low viscosity low volatility benzoate monoester lubricating oil base stocks and methods of use thereof | 20180222 |
US-2015185612-A1 | Actinic ray-sensitive or radiation-sensitive resin composition, resist film, pattern forming method, manufacturing method of electronic device using the same, and electronic device | 20120913 |
Complexity: | 179 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.078644241 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.078644241 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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