2-Hydroxy-3-isopropylbenzoic acid - CAS 7053-88-5
Catalog: |
BB034174 |
Product Name: |
2-Hydroxy-3-isopropylbenzoic acid |
CAS: |
7053-88-5 |
Synonyms: |
2-hydroxy-3-propan-2-ylbenzoic acid |
IUPAC Name: | 2-hydroxy-3-propan-2-ylbenzoic acid |
Description: | 2-Hydroxy-3-isopropylbenzoic acid (CAS# 7053-88-5) is a useful research chemical. |
Molecular Weight: | 180.20 |
Molecular Formula: | C10H12O3 |
Canonical SMILES: | CC(C)C1=CC=CC(=C1O)C(=O)O |
InChI: | InChI=1S/C10H12O3/c1-6(2)7-4-3-5-8(9(7)11)10(12)13/h3-6,11H,1-2H3,(H,12,13) |
InChI Key: | XGAYQDWZIPRBPF-UHFFFAOYSA-N |
Boiling Point: | 301.6 °C at 760 mmHg |
Melting Point: | 73-75 °C (lit.) |
Purity: | 95 % |
Density: | 1.197 g/cm3 |
Appearance: | Solid |
MDL: | MFCD00075272 |
LogP: | 2.21380 |
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 |
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PMID | Publication Date | Title | Journal |
21189019 | 20110127 | Identifying chelators for metalloprotein inhibitors using a fragment-based approach | Journal of medicinal chemistry |
17582748 | 20070801 | Mechanistic evaluation of factors affecting compound loading into ion-exchange fibers | European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences |
12109905 | 20020718 | 4D-QSAR analysis of a set of propofol analogues: mapping binding sites for an anesthetic phenol on the GABA(A) receptor | Journal of medicinal chemistry |
9599235 | 19980521 | Propofol analogues. Synthesis, relationships between structure and affinity at GABAA receptor in rat brain, and differential electrophysiological profile at recombinant human GABAA receptors | Journal of medicinal chemistry |
Complexity: | 189 |
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: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.078644241 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 57.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
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