Methyl 2-naphthoate - CAS 2459-25-8
Catalog: |
BB018541 |
Product Name: |
Methyl 2-naphthoate |
CAS: |
2459-25-8 |
Synonyms: |
methyl naphthalene-2-carboxylate |
IUPAC Name: | methyl naphthalene-2-carboxylate |
Description: | Methyl 2-naphthoate (CAS# 2459-25-8) is a useful research chemical. |
Molecular Weight: | 186.21 |
Molecular Formula: | C12H10O2 |
Canonical SMILES: | COC(=O)C1=CC2=CC=CC=C2C=C1 |
InChI: | InChI=1S/C12H10O2/c1-14-12(13)11-7-6-9-4-2-3-5-10(9)8-11/h2-8H,1H3 |
InChI Key: | IODOXLXFXNATGI-UHFFFAOYSA-N |
Boiling Point: | 290 °C |
Melting Point: | 75-77 °C |
Purity: | 95 % |
Density: | 1.153 g/cm3 |
MDL: | MFCD00017345 |
LogP: | 2.62640 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113214106-A | Method for efficiently synthesizing primary amide and N-methyl secondary amide compounds | 20210622 |
CN-111333560-A | Method for preparing spiro β -lactam | 20200413 |
JP-2021147339-A | Metal complex | 20200317 |
US-2020361920-A1 | Isoxazole derivatives as fxr agonists and methods of use thereof | 20190513 |
WO-2020231917-A1 | Isoxazole derivatives as fxr agonists and methods of use thereof | 20190513 |
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: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 186.068079557 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
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