tert-Butyl methyl malonate - CAS 42726-73-8

Catalog:	BB025209
Product Name:	tert-Butyl methyl malonate
CAS:	42726-73-8
Synonyms:	3-O-tert-butyl 1-O-methyl propanedioate

Technical Data

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Computed Properties

IUPAC Name:	3-O-tert-butyl 1-O-methyl propanedioate
Description:	tert-Butyl methyl malonate (CAS# 42726-73-8) is a useful research chemical for organic synthesis and other chemical processes. A malonic acid derivative with an acaricidal and insecticidal activity.
Molecular Weight:	174.19
Molecular Formula:	C8H14O4
Canonical SMILES:	CC(C)(C)OC(=O)CC(=O)OC
InChI:	InChI=1S/C8H14O4/c1-8(2,3)12-7(10)5-6(9)11-4/h5H2,1-4H3
InChI Key:	XPSYZCWYRWHVCC-UHFFFAOYSA-N
Boiling Point:	197.7 °C at 760 mmHg
Melting Point:	-10 °C
Purity:	95 %
Density:	1.039 g/cm³
Appearance:	Colorless to yellow liquid
MDL:	MFCD00042856
LogP:	0.89120

Publication Number	Title	Priority Date
CN-113461679-A	Synthesis of benzazepine isatin compound	20210629
CN-113337170-A	Curable composition, cured product, near-infrared absorption filter, and method for producing same	20200218
US-2021129568-A1	Ink jet recording method	20191030
WO-2021081207-A1	Glp-1r modulating compounds	20191025
US-2021171499-A1	Glp-1r modulating compounds	20191025

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Complexity:	178
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	174.08920892
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	174.08920892
Rotatable Bond Count:	5
Topological Polar Surface Area:	52.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1