Methyl 4,4-dimethoxybutyrate - CAS 4220-66-0
Catalog: |
BB025078 |
Product Name: |
Methyl 4,4-dimethoxybutyrate |
CAS: |
4220-66-0 |
Synonyms: |
methyl 4,4-dimethoxybutanoate |
IUPAC Name: | methyl 4,4-dimethoxybutanoate |
Description: | Methyl 4,4-dimethoxybutyrate (CAS# 4220-66-0) is a compound useful in organic synthesis. |
Molecular Weight: | 162.18 |
Molecular Formula: | C7H14O4 |
Canonical SMILES: | COC(CCC(=O)OC)OC |
InChI: | InChI=1S/C7H14O4/c1-9-6(8)4-5-7(10-2)11-3/h7H,4-5H2,1-3H3 |
InChI Key: | MMRXJPOAPCEDLP-UHFFFAOYSA-N |
Boiling Point: | 191.8 °C at 760 mmHg |
Density: | 1.05 g/cm3 |
MDL: | MFCD02683436 |
LogP: | 0.55850 |
GHS Hazard Statement: | H227 (100%): Combustible liquid [Warning Flammable liquids] |
Precautionary Statement: | P210, P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021105474-A1 | New compounds for treatment of diseases related to dux4 expression | 20191129 |
CN-110452165-B | Preparation method of 2-methylpyridine-4-formic acid | 20180507 |
CN-109384816-A | Electroluminescent organic material and device | 20170810 |
EP-3444258-A2 | Organic electroluminescent materials and devices | 20170810 |
EP-3444258-B1 | Organic electroluminescent materials and devices | 20170810 |
Complexity: | 109 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 162.08920892 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 162.08920892 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 44.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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