α-Methylhydrocinnamic acid - CAS 1009-67-2
Catalog: |
BB000406 |
Product Name: |
α-Methylhydrocinnamic acid |
CAS: |
1009-67-2 |
Synonyms: |
2-methyl-3-phenylpropanoic acid |
IUPAC Name: | 2-methyl-3-phenylpropanoic acid |
Description: | α-Methylhydrocinnamic acid (CAS# 1009-67-2) is a useful research chemical. |
Molecular Weight: | 164.20 |
Molecular Formula: | C10H12O2 |
Canonical SMILES: | CC(CC1=CC=CC=C1)C(=O)O |
InChI: | InChI=1S/C10H12O2/c1-8(10(11)12)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,11,12) |
InChI Key: | MCIIDRLDHRQKPH-UHFFFAOYSA-N |
Boiling Point: | 167-168 °C / 23 mmHg (lit.) |
Melting Point: | 39-41°C(lit.) |
Flash Point: | 113°C |
Density: | 1.065 g/mL at 25°C(lit.) |
Appearance: | White to light yellow crystalline powder |
Storage: | Keep tightly closed. Store in a cool dry place. |
MDL: | MFCD00192301 |
LogP: | 1.94980 |
Stability: | Stable at normal temperatures and pressures. |
Vapor Pressure: | 0.00305mmHg at 25°C |
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 |
19533021 | 20100801 | Pyrimidinyl-arylpropionic acid derivatives: viable resources in the development of new antineoplastic agents | Investigational new drugs |
21578851 | 20091121 | N-{4-[4-(4-Fluoro-phen-yl)-1-(2-methoxy-ethyl)-2-methyl-sulfanyl-1H-imidazol-5-yl]-2-pyrid-yl}-2-methyl-3-phenyl-propionamide | Acta crystallographica. Section E, Structure reports online |
19574056 | 20090801 | Discovery of novel dual functional agent as PPARgamma agonist and 11beta-HSD1 inhibitor for the treatment of diabetes | Bioorganic & medicinal chemistry |
18704263 | 20090601 | Antitumor activity of a novel series of alpha-aryloxy-alpha-methylhydrocinnamic acid derivatives as PPAR gamma agonists against a panel of human cancer cell lines | Investigational new drugs |
19996593 | 20090101 | Antitumor efficacy of two novel non-thiazolidinedione compounds as peroxisome proliferator-activated receptor-gamma agonists in human osteosarcoma cells in vitro | Chemotherapy |
Complexity: | 148 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 164.083729621 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 164.083729621 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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