2-Naphthaleneacetic acid - CAS 581-96-4
Catalog: |
BB029965 |
Product Name: |
2-Naphthaleneacetic acid |
CAS: |
581-96-4 |
Synonyms: |
2-naphthalen-2-ylacetic acid |
IUPAC Name: | 2-naphthalen-2-ylacetic acid |
Description: | 2-Naphthylacetic acid 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: | 186.21 |
Molecular Formula: | C12H10O2 |
Canonical SMILES: | C1=CC=C2C=C(C=CC2=C1)CC(=O)O |
InChI: | InChI=1S/C12H10O2/c13-12(14)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7H,8H2,(H,13,14) |
InChI Key: | VIBOGIYPPWLDTI-UHFFFAOYSA-N |
Boiling Point: | 373.2 °C at 760 mmHg |
Density: | 1.233 g/cm3 |
MDL: | MFCD00004126 |
LogP: | 2.46690 |
GHS Hazard Statement: | H315 (97.73%): 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 |
21997960 | 20120101 | A plug and play polymeric template driven by supramolecular interactions | Journal of biomedical materials research. Part A |
23119167 | 20120101 | In Vitro Propagation of Muña-Muña (Clinopodium odorum (Griseb.) Harley) | Biotechnology research international |
21521176 | 20111101 | The hydrolytic activity of esterases in the yeast Saccharomyces cerevisiae is strain dependent | Cell biology international |
21834094 | 20111004 | Optimisation of the anti-Trypanosoma brucei activity of the opioid agonist U50488 | ChemMedChem |
22639627 | 20110101 | Plant Lessons: Exploring ABCB Functionality Through Structural Modeling | Frontiers in plant science |
Complexity: | 212 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 186.068079557 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 186.068079557 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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