CHEBI:40677 - 3-(10-methyl-9-anthryl)propanoic acid

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ChEBI Name 3-(10-methyl-9-anthryl)propanoic acid
ChEBI ID CHEBI:40677
Definition Anthracene substituted at C-9 by a propionic acid group and at C-10 by a methyl group.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C18H16O2
Net Charge 0
Average Mass 264.31840
Monoisotopic Mass 264.11503
InChI InChI=1S/C18H16O2/c1-12-13-6-2-4-8-15(13)17(10-11-18(19)20)16-9-5-3-7-14(12)16/h2-9H,10-11H2,1H3,(H,19,20)
InChIKey CKQINRXZVYBCSC-UHFFFAOYSA-N
SMILES Cc1c2ccccc2c(CCC(O)=O)c2ccccc12
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 3-(10-methyl-9-anthryl)propanoic acid (CHEBI:40677) is a anthracenes (CHEBI:46955)
3-(10-methyl-9-anthryl)propanoic acid (CHEBI:40677) is a monocarboxylic acid (CHEBI:25384)
IUPAC Name
3-(10-methylanthracen-9-yl)propanoic acid
Synonyms Sources
3-(10-methyl-9-anthryl)propionic acid ChEBI
3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID PDBeChem
Manual Xref Database
AN1 PDBeChem
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Registry Number Type Source
3340800 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
12093912 PubMed citation Europe PMC
Last Modified
30 January 2012