Butanoic acid, 2,2-dimethyl-3-oxo-, methyl ester (CHEBI:167363)

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CHEBI:167363 - Butanoic acid, 2,2-dimethyl-3-oxo-, methyl ester

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ChEBI ID	CHEBI:167363
ChEBI Name	Butanoic acid, 2,2-dimethyl-3-oxo-, methyl ester
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C7H12O3
Net Charge	0
Average Mass	144.170
Monoisotopic Mass	144.07864
SMILES	COC(=O)C(C)(C)C(C)=O
InChI	InChI=1S/C7H12O3/c1-5(8)7(2,3)6(9)10-4/h1-4H3
InChIKey	LVSDLZIEHYYLTC-UHFFFAOYSA-N

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	Butanoic acid, 2,2-dimethyl-3-oxo-, methyl ester (CHEBI:167363) is a oxo carboxylic acid (CHEBI:25754)

IUPAC Name
methyl 2,2-dimethyl-3-oxobutanoate

Manual Xrefs	Databases
87517	ChemSpider

Registry Numbers	Sources
CAS:38923-57-8	ChemIDplus