2,5-Dimethylbenzoic acid - CAS 610-72-0
Catalog: |
BB030930 |
Product Name: |
2,5-Dimethylbenzoic acid |
CAS: |
610-72-0 |
Synonyms: |
2,5-dimethylbenzoic acid |
IUPAC Name: | 2,5-dimethylbenzoic acid |
Description: | A thiazolidinedione analogue prepared for use as a 15-hydroxyprostaglandin dehydrogenase (15-PGDH) inhibitor and wound healing promoter. |
Molecular Weight: | 150.17 |
Molecular Formula: | C9H10O2 |
Canonical SMILES: | CC1=CC(=C(C=C1)C)C(=O)O |
InChI: | InChI=1S/C9H10O2/c1-6-3-4-7(2)8(5-6)9(10)11/h3-5H,1-2H3,(H,10,11) |
InChI Key: | XZRHNAFEYMSXRG-UHFFFAOYSA-N |
Boiling Point: | 268 °C |
Density: | 1.06 g/cm3 |
Appearance: | White to off-white crystalline powder |
MDL: | MFCD00002482 |
LogP: | 2.00160 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113149833-A | Purification method of alkylbenzoic acid | 20210310 |
WO-2021126973-A1 | Compounds modulating protein recruitment and/or degradation | 20191217 |
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WO-2020148617-A1 | 3-substituted phenylamidine compounds, preparation and use thereof | 20190114 |
PMID | Publication Date | Title | Journal |
12038862 | 20020101 | Toxicokinetics and metabolism of pseudocumene (1,2,4-trimethylbenzene) after inhalation exposure in rats | International journal of occupational medicine and environmental health |
Complexity: | 154 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 150.068079557 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 150.068079557 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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