Ethyl 4-Cyclopropyl-2,4-dioxobutanoate - CAS 21080-80-8

Catalog:	BB016592
Product Name:	Ethyl 4-Cyclopropyl-2,4-dioxobutanoate
CAS:	21080-80-8
Synonyms:	4-cyclopropyl-2,4-dioxobutanoic acid ethyl ester; ethyl 4-cyclopropyl-2,4-dioxobutanoate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl 4-cyclopropyl-2,4-dioxobutanoate
Description:	Ethyl 4-Cyclopropyl-2,4-dioxobutanoate (CAS# 21080-80-8) is a useful research chemical.
Molecular Weight:	184.19
Molecular Formula:	C9H12O4
Canonical SMILES:	CCOC(=O)C(=O)CC(=O)C1CC1
InChI:	InChI=1S/C9H12O4/c1-2-13-9(12)8(11)5-7(10)6-3-4-6/h6H,2-5H2,1H3
InChI Key:	MHKXVJFDESXWFH-UHFFFAOYSA-N
MDL:	MFCD09052462
LogP:	0.48780

Publication Number	Title	Priority Date
WO-2021133915-A1	Ectonucleotide pyrophosphatase/phosphodiesterase 1 (enpp1) modulators and uses thereof	20191223
US-2020123142-A1	Substituted Cyclohexylamine Compounds	20181019
CA-3066604-A1	Composition for regulating plant growth, method for treating plants therewith, and active ingredient thereof	20160617
EP-3473098-A1	Composition for regulating plant growth, method for treating plants therewith, and active ingredient thereof	20160617
JP-2017081908-A	Pharmaceutical composition	20151022

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Complexity:	240
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	184.07355886
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	184.07355886
Rotatable Bond Count:	6
Topological Polar Surface Area:	60.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7