2-Ethynyl-6-methoxynaphthalene - CAS 129113-00-4
Catalog: |
BB006971 |
Product Name: |
2-Ethynyl-6-methoxynaphthalene |
CAS: |
129113-00-4 |
Synonyms: |
2-ethynyl-6-methoxynaphthalene |
IUPAC Name: | 2-ethynyl-6-methoxynaphthalene |
Description: | 2-Ethynyl-6-methoxynaphthalene (CAS# 129113-00-4) is a compound useful in organic synthesis. |
Molecular Weight: | 182.22 |
Molecular Formula: | C13H10O |
Canonical SMILES: | COC1=CC2=C(C=C1)C=C(C=C2)C#C |
InChI: | InChI=1S/C13H10O/c1-3-10-4-5-12-9-13(14-2)7-6-11(12)8-10/h1,4-9H,2H3 |
InChI Key: | PATPLTUFXUXNDY-UHFFFAOYSA-N |
Boiling Point: | 313.2 °C at 760 mmHg |
Melting Point: | 110-114 °C (lit.) |
Purity: | 95 % |
Density: | 1.11 g/cm3 |
Storage: | Sealed in dry, 2-8 °C |
MDL: | MFCD00089947 |
LogP: | 2.82970 |
GHS Hazard Statement: | H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] |
Precautionary Statement: | P273, P280, P305+P351+P338, P310, P391, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113149827-A | Method for synthesizing alkynoic acid by using terminal alkyne and carbon dioxide | 20210419 |
CN-112939982-A | Alkyne heterocyclic BTK inhibitor and preparation method and application thereof | 20210121 |
CN-110627610-A | Method for synthesizing alkyne by catalyzing asymmetric cross coupling | 20190829 |
CN-112390814-A | EP4 receptor antagonists in combination with PD-1 inhibitors for the treatment of cancer | 20190815 |
WO-2021027567-A1 | Combination of ep4 receptor antagonist and pd-1 inhibitor for cancer treatment | 20190815 |
Complexity: | 237 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 182.073164938 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 182.073164938 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 9.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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