CHEBI:179656 - o-Tolyl acetate

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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 o-Tolyl acetate
ChEBI ID CHEBI:179656
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C9H10O2
Net Charge 0
Average Mass 150.177
Monoisotopic Mass 150.06808
InChI InChI=1S/C9H10O2/c1-7-5-3-4-6-9(7)11-8(2)10/h3-6H,1-2H3
InChIKey AMZORBZSQRUXNC-UHFFFAOYSA-N
SMILES O(C=1C(=CC=CC1)C)C(=O)C
ChEBI Ontology
Outgoing o-Tolyl acetate (CHEBI:179656) is a benzoate ester (CHEBI:36054)
o-Tolyl acetate (CHEBI:179656) is a phenols (CHEBI:33853)
IUPAC Name
(2-methylphenyl) acetate
Manual Xrefs Databases
21106000 ChemSpider
HMDB0032073 HMDB
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Registry Number Type Source
533-18-6 CAS Registry Number ChemIDplus