Methyl 1-naphthaleneacetate - CAS 2876-78-0
Catalog: |
BB019942 |
Product Name: |
Methyl 1-naphthaleneacetate |
CAS: |
2876-78-0 |
Synonyms: |
methyl 2-naphthalen-1-ylacetate |
IUPAC Name: | methyl 2-naphthalen-1-ylacetate |
Description: | Methyl 1-naphthaleneacetate (CAS# 2876-78-0) is a useful research chemical. |
Molecular Weight: | 200.23 |
Molecular Formula: | C13H12O2 |
Canonical SMILES: | COC(=O)CC1=CC=CC2=CC=CC=C21 |
InChI: | InChI=1S/C13H12O2/c1-15-13(14)9-11-7-4-6-10-5-2-3-8-12(10)11/h2-8H,9H2,1H3 |
InChI Key: | YGGXZTQSGNFKPJ-UHFFFAOYSA-N |
Boiling Point: | 160-162 °C (5 mmHg) |
Density: | 1.142 g/cm3 |
Appearance: | Colorless liquid |
LogP: | 2.55530 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113331193-A | Preparation method of pollution-free potato sprout inhibitor based on new hydrophobic material | 20210603 |
CN-112430158-A | Preparation and application method of compound fertilizer matrix | 20201216 |
CN-112273428-A | Storage and preservation method of onions | 20201027 |
CN-112106829-A | Bud inhibition and preservation composite coating material for potatoes and bud inhibition and preservation method | 20200923 |
CN-111615985-A | Cultivation process of garden flower seedlings | 20200603 |
PMID | Publication Date | Title | Journal |
21820351 | 20111101 | FT-IR, FT-Raman, ab initio and DFT structural, vibrational frequency and HOMO-LUMO analysis of 1-naphthaleneacetic acid methyl ester | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
Complexity: | 225 |
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: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 200.083729621 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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