(2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl)acetate (CHEBI:19733)

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ChEBI Name	(2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl)acetate

ChEBI ID	CHEBI:19733

Definition	A 4-oxo monocarboxylic acid anion resulting from the removal of a proton from the carboxylic acid group of (2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl)acetic acid.

Stars	This entity has been manually annotated by the ChEBI Team.

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Formula

C10H13O3

Net Charge

-1

Average Mass

181.20840

Monoisotopic Mass

181.08702

InChI

InChI=1S/C10H14O3/c1-6-4-8(11)7(5-9(12)13)10(6,2)3/h4,7H,5H2,1-3H3,(H,12,13)/p-1

InChIKey

UJJNLVMCZZZXFW-UHFFFAOYSA-M

SMILES

CC1=CC(=O)C(CC([O-])=O)C1(C)C

ChEBI Ontology
Outgoing	(2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl)acetate (CHEBI:19733) has functional parent acetate (CHEBI:30089) (2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl)acetate (CHEBI:19733) is a 4-oxo monocarboxylic acid anion (CHEBI:35974) (2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl)acetate (CHEBI:19733) is a cyclic ketone (CHEBI:3992) (2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl)acetate (CHEBI:19733) is conjugate base of (2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl)acetic acid (CHEBI:28045)

Incoming	[(R)-2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl]acetate (CHEBI:64815) is a (2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl)acetate (CHEBI:19733) (2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl)acetic acid (CHEBI:28045) is conjugate acid of (2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl)acetate (CHEBI:19733)

IUPAC Name

(2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl)acetate

Synonym	Source
2-Oxo-delta³-4,5,5-trimethylcyclopentenylacetate	UM-BBD

Last Modified

24 May 2018