2-Naphthalen-2-yl-propionic Acid - CAS 13350-60-2
Catalog: |
BB058644 |
Product Name: |
2-Naphthalen-2-yl-propionic Acid |
CAS: |
13350-60-2 |
Synonyms: |
α-Methyl-2-naphthaleneacetic Acid; (±)-2-(2-Naphthyl)propionic Acid; 2-(2-Naphthyl)propanoic acid; 2-(2-Naphthyl)propionic Acid; 2-(Naphthalen-2-yl)propanoic Acid; 2-(Naphthalen-2-yl)propionic Acid;2-(β-Naphthyl)propionic Acid; α-(2-Naphthyl)propionic Acid |
IUPAC Name: | 2-naphthalen-2-ylpropanoic acid |
Description: | 2-Naphthalen-2-yl-propionic Acid is the impurity of 2-Naphthylacetic Acid(N368490) which can be used to synthesize hydrolase inhibitors. It can also be utilized for developing γ-dipeptide derivatives that can bind human somatostatin receptors. |
Molecular Weight: | 200.23 |
Molecular Formula: | C13H12O2 |
Canonical SMILES: | CC(C1=CC2=CC=CC=C2C=C1)C(=O)O |
InChI: | InChI=1S/C13H12O2/c1-9(13(14)15)11-7-6-10-4-2-3-5-12(10)8-11/h2-9H,1H3,(H,14,15) |
InChI Key: | DKVIPUUJSKIQFZ-UHFFFAOYSA-N |
References: | Tarzia, G., et al. J. Med. Chem. 46, 2352 (2003); Seebach, D., et al. Angew. Chem. Int. Ed. 42, 776 (2003). |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
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Complexity: | 237 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 200.083729621 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 200.083729621 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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