1-(2-Methoxynaphthalen-1-yl)ethanone - CAS 5672-94-6
Catalog: |
BB060062 |
Product Name: |
1-(2-Methoxynaphthalen-1-yl)ethanone |
CAS: |
5672-94-6 |
Synonyms: |
1-(2-Methoxy-1-naphthalenyl)ethanone; 1-(2-Methoxynaphthalen-1-yl)ethan-1-one; 1-Acetyl-2-methoxynaphthalene; 2-Methoxy-1-acetonaphthone |
IUPAC Name: | 1-(2-methoxynaphthalen-1-yl)ethanone |
Description: | 1-(2-Methoxynaphthalen-1-yl)ethanone is a useful research chemical for organic synthesis and other chemical processes. |
Molecular Weight: | 200.23 |
Molecular Formula: | C13H12O2 |
Canonical SMILES: | CC(=O)C1=C(C=CC2=CC=CC=C21)OC |
InChI: | InChI=1S/C13H12O2/c1-9(14)13-11-6-4-3-5-10(11)7-8-12(13)15-2/h3-8H,1-2H3 |
InChI Key: | WFBBDKXOGOJOKY-UHFFFAOYSA-N |
References: | Mashita, O., et al. J. Pestic. Sci. 41, 71 (2016); Amin, S., et al. Carcinogenesis, 3, 1159 (1982). |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/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 |
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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: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 200.083729621 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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