Dimethylmalonic Acid Monoethyl Ester - CAS 5471-77-2
Catalog: |
BB028799 |
Product Name: |
Dimethylmalonic Acid Monoethyl Ester |
CAS: |
5471-77-2 |
Synonyms: |
3-ethoxy-2,2-dimethyl-3-oxopropanoic acid; 3-ethoxy-2,2-dimethyl-3-oxopropanoic acid |
IUPAC Name: | 3-ethoxy-2,2-dimethyl-3-oxopropanoic acid |
Description: | Dimethylmalonic Acid Monoethyl Ester (CAS# 5471-77-2) is a useful research chemical. |
Molecular Weight: | 160.17 |
Molecular Formula: | C7H12O4 |
Canonical SMILES: | CCOC(=O)C(C)(C)C(=O)O |
InChI: | InChI=1S/C7H12O4/c1-4-11-6(10)7(2,3)5(8)9/h4H2,1-3H3,(H,8,9) |
InChI Key: | WDWFSABLPAHCPF-UHFFFAOYSA-N |
Boiling Point: | 250.5 °C at 760 mmHg |
Density: | 1.126 g/cm3 |
MDL: | MFCD04003823 |
LogP: | 0.66030 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-110467918-A | Quantum dot and preparation method thereof | 20190805 |
WO-2021018238-A1 | Dihydropyrimidine derivatives and uses thereof in the treatment of hbv infection or of hbv-induced diseases | 20190731 |
AU-2018355531-A1 | Oxadiazoles and thiadiazoles as TGF-beta inhibitors | 20171026 |
US-10653682-B2 | Oxadiazoles and thiadiazoles as TGF-β inhibitors | 20171026 |
US-2019125730-A1 | Oxadiazoles and thiadiazoles as tgf-beta inhibitors | 20171026 |
Complexity: | 171 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 160.07355886 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 160.07355886 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 63.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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