Ethyl 3,4-dimethoxybenzoylacetate - CAS 4687-37-0
Catalog: |
BB026192 |
Product Name: |
Ethyl 3,4-dimethoxybenzoylacetate |
CAS: |
4687-37-0 |
Synonyms: |
ethyl 3-(3,4-dimethoxyphenyl)-3-oxopropanoate |
IUPAC Name: | ethyl 3-(3,4-dimethoxyphenyl)-3-oxopropanoate |
Description: | Ethyl 3,4-dimethoxybenzoylacetate (CAS# 4687-37-0) is a useful research chemical compound. |
Molecular Weight: | 252.26 |
Molecular Formula: | C13H16O5 |
Canonical SMILES: | CCOC(=O)CC(=O)C1=CC(=C(C=C1)OC)OC |
InChI: | InChI=1S/C13H16O5/c1-4-18-13(15)8-10(14)9-5-6-11(16-2)12(7-9)17-3/h5-7H,4,8H2,1-3H3 |
InChI Key: | BHSYONGONOKNAI-UHFFFAOYSA-N |
Boiling Point: | 350.9 °C at 760 mmHg |
Density: | 1.136 g/cm3 |
Appearance: | Light yellow solid |
MDL: | MFCD03424826 |
LogP: | 1.83970 |
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-110552018-A | Method for synthesizing 1-naphthol compound based on electrochemical intermolecular cyclization | 20191017 |
CN-110552018-B | Method for synthesizing 1-naphthol compound based on electrochemical intermolecular cyclization | 20191017 |
CN-109369592-A | A kind of synthetic method of sweet orange flavones | 20181129 |
WO-2020080960-A1 | Compounds for treating diabetes and/or related conditions | 20181019 |
AU-2015287567-A1 | Anti-cancer compounds target Ral GTPases and methods of using the same | 20140710 |
Complexity: | 289 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 252.09977361 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 252.09977361 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 61.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS