Ethyl (2-methoxybenzoyl)acetate - CAS 41607-95-8
Catalog: |
BB024916 |
Product Name: |
Ethyl (2-methoxybenzoyl)acetate |
CAS: |
41607-95-8 |
Synonyms: |
ethyl 3-(2-methoxyphenyl)-3-oxopropanoate |
IUPAC Name: | ethyl 3-(2-methoxyphenyl)-3-oxopropanoate |
Description: | Ethyl (2-methoxybenzoyl)acetate (CAS# 41607-95-8) is a useful research chemical. |
Molecular Weight: | 222.24 |
Molecular Formula: | C12H14O4 |
Canonical SMILES: | CCOC(=O)CC(=O)C1=CC=CC=C1OC |
InChI: | InChI=1S/C12H14O4/c1-3-16-12(14)8-10(13)9-6-4-5-7-11(9)15-2/h4-7H,3,8H2,1-2H3 |
InChI Key: | KROPYAVVJDXRPH-UHFFFAOYSA-N |
Boiling Point: | 307.8 °C at 760 mmHg |
Density: | 1.144 g/cm3 |
Appearance: | Colorless to orange liquid |
MDL: | MFCD01311633 |
LogP: | 1.83110 |
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 |
AU-2016232330-A1 | KV1.3 inhibitors and their medical application | 20150313 |
AU-2016232330-B2 | KV1.3 inhibitors and their medical application | 20150313 |
AU-2016232338-A1 | Kv1.3 inhibitors and their medical application | 20150313 |
CA-2979501-A1 | Kv1.3 inhibitors and their medical application | 20150313 |
CA-2979503-A1 | Kv1.3 inhibitors and their medical application | 20150313 |
Complexity: | 249 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 222.08920892 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 222.08920892 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 52.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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