4-Ethyl-1-naphthoic Acid - CAS 91902-58-8
Catalog: |
BB040378 |
Product Name: |
4-Ethyl-1-naphthoic Acid |
CAS: |
91902-58-8 |
Synonyms: |
4-ethyl-1-naphthalenecarboxylic acid; 4-ethylnaphthalene-1-carboxylic acid |
IUPAC Name: | 4-ethylnaphthalene-1-carboxylic acid |
Description: | Used in the preparation of antimalarial compounds. It also shows some plant-growth activity. |
Molecular Weight: | 200.23 |
Molecular Formula: | C13H12O2 |
Canonical SMILES: | CCC1=CC=C(C2=CC=CC=C12)C(=O)O |
InChI: | InChI=1S/C13H12O2/c1-2-9-7-8-12(13(14)15)11-6-4-3-5-10(9)11/h3-8H,2H2,1H3,(H,14,15) |
InChI Key: | PLFCGQDMWZGHOQ-UHFFFAOYSA-N |
Boiling Point: | 379.3 °C at 760 mmHg |
Density: | 1.185 g/cm3 |
LogP: | 3.10040 |
Publication Number | Title | Priority Date |
CN-111440137-A | 3, 4-benzocoumarin derivative and preparation method and application thereof | 20200428 |
CN-111410603-A | Benzanthrone derivative, preparation method thereof and application thereof in functional pigment | 20200420 |
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US-2017208804-A1 | Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto | 20160125 |
US-9924716-B2 | Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto | 20160125 |
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: | 37.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.9 |
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