CHEBI:180401 - Benzyl propionate

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ChEBI Name Benzyl propionate
ChEBI ID CHEBI:180401
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C10H12O2
Net Charge 0
Average Mass 164.204
Monoisotopic Mass 164.08373
InChI InChI=1S/C10H12O2/c1-2-10(11)12-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKey VHOMAPWVLKRQAZ-UHFFFAOYSA-N
SMILES O(CC1=CC=CC=C1)C(=O)CC
ChEBI Ontology
Outgoing Benzyl propionate (CHEBI:180401) has functional parent benzyl alcohol (CHEBI:17987)
Benzyl propionate (CHEBI:180401) is a carboxylic ester (CHEBI:33308)
IUPAC Name
benzyl propanoate
Manual Xrefs Databases
28960 ChemSpider
HMDB0030063 HMDB
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Registry Number Type Source
122-63-4 CAS Registry Number ChemIDplus