Diethyl 2-(4-Methoxybenzyl)malonate - CAS 6335-37-1
Catalog: |
BB032115 |
Product Name: |
Diethyl 2-(4-Methoxybenzyl)malonate |
CAS: |
6335-37-1 |
Synonyms: |
2-[(4-methoxyphenyl)methyl]propanedioic acid diethyl ester; diethyl 2-[(4-methoxyphenyl)methyl]propanedioate |
IUPAC Name: | diethyl 2-[(4-methoxyphenyl)methyl]propanedioate |
Description: | Diethyl 2-(4-Methoxybenzyl)malonate (CAS# 6335-37-1 ) is a useful research chemical. |
Molecular Weight: | 280.32 |
Molecular Formula: | C15H20O5 |
Canonical SMILES: | CCOC(=O)C(CC1=CC=C(C=C1)OC)C(=O)OCC |
InChI: | InChI=1S/C15H20O5/c1-4-19-14(16)13(15(17)20-5-2)10-11-6-8-12(18-3)9-7-11/h6-9,13H,4-5,10H2,1-3H3 |
InChI Key: | VOUQVWQRJJVRFU-UHFFFAOYSA-N |
Boiling Point: | 365 °C at 760 mmHg |
Density: | 1.109 g/cm3 |
LogP: | 1.98010 |
Publication Number | Title | Priority Date |
CN-112204065-A | Process for preparing polyisocyanate polymers and polyisocyanurate plastics | 20180517 |
DE-102009002287-A1 | Stabilized cosmetic compositions | 20090408 |
EP-2238964-A2 | Stabilised cosmetic compounds | 20090408 |
AU-2008264458-A1 | Novel malonic acid sulfonamide derivative and pharmaceutical use thereof | 20070620 |
AU-2008264458-B2 | Novel malonic acid sulfonamide derivative and pharmaceutical use thereof | 20070620 |
PMID | Publication Date | Title | Journal |
21588286 | 20100710 | Diethyl 2-[(3,5-dimethyl-1H-pyrazol-1-yl)(4-meth-oxy-phen-yl)meth-yl]propane-dioate | Acta crystallographica. Section E, Structure reports online |
Complexity: | 289 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 280.13107373 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 280.13107373 |
Rotatable Bond Count: | 9 |
Topological Polar Surface Area: | 61.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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