2-isopropyl trans-crotonic acid (CHEBI:179477)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	2-isopropyl trans-crotonic acid

ChEBI ID	CHEBI:179477

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C7H12O2

Net Charge

Average Mass

128.171

Monoisotopic Mass

128.08373

InChI

InChI=1S/C7H12O2/c1-4-6(5(2)3)7(8)9/h4-5H,1-3H3,(H,8,9)/b6-4+

InChIKey

KPEWEFZCRAOPHV-GQCTYLIASA-N

SMILES

OC(=O)\C(\C(C)C)=C\C

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	2-isopropyl trans-crotonic acid (CHEBI:179477) is a methyl-branched fatty acid (CHEBI:62499)

IUPAC Name

(E)-2-propan-2-ylbut-2-enoic acid