2-Hydroxy-6-isopropyl-3-methylbenzoic acid - CAS 4389-53-1
Catalog: |
BB025491 |
Product Name: |
2-Hydroxy-6-isopropyl-3-methylbenzoic acid |
CAS: |
4389-53-1 |
Synonyms: |
2-hydroxy-3-methyl-6-propan-2-ylbenzoic acid |
IUPAC Name: | 2-hydroxy-3-methyl-6-propan-2-ylbenzoic acid |
Description: | 2-Hydroxy-6-isopropyl-3-methylbenzoic acid (CAS# 4389-53-1) is a useful research chemical. |
Molecular Weight: | 194.23 |
Molecular Formula: | C11H14O3 |
Canonical SMILES: | CC1=C(C(=C(C=C1)C(C)C)C(=O)O)O |
InChI: | InChI=1S/C11H14O3/c1-6(2)8-5-4-7(3)10(12)9(8)11(13)14/h4-6,12H,1-3H3,(H,13,14) |
InChI Key: | ZHLQYPNVDAMSFD-UHFFFAOYSA-N |
Boiling Point: | 323 °C at 760 mmHg |
Density: | 1.164 g/cm3 |
Appearance: | White powder, fibers or crystals |
MDL: | MFCD00075213 |
LogP: | 2.52220 |
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 |
WO-2021119554-A1 | Compositions and methods for potentiating immune activity | 20191212 |
WO-2014124552-A1 | N-substituted amino butyrolactone derivatives and uses thereof | 20130218 |
US-2015239931-A1 | Inhibitors of protein tyrosine phosphatases | 20121004 |
US-9340574-B2 | Inhibitors of protein tyrosine phosphatases | 20121004 |
WO-2014055768-A1 | Inhibitors of protein tyrosine phosphatases | 20121004 |
PMID | Publication Date | Title | Journal |
21754389 | 20110501 | 2-Hy-droxy-6-isopropyl-3-methyl-benzoic acid | Acta crystallographica. Section E, Structure reports online |
Complexity: | 213 |
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: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.094294304 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 57.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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