9-anthroic acid   

GtoPdb Ligand ID: 4113

Synonyms: 9-AC | anthracene-10-carboxylic acid
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 37.3
Molecular weight 222.07
XLogP 4.17
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES OC(=O)c1c2ccccc2cc2c1cccc2
Isomeric SMILES OC(=O)c1c2ccccc2cc2c1cccc2
InChI InChI=1S/C15H10O2/c16-15(17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H,(H,16,17)
InChI Key XGWFJBFNAQHLEF-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
anthracene-9-carboxylic acid
Synonyms
9-AC | anthracene-10-carboxylic acid
Database Links
CAS Registry No. 723-62-6 (source: Scifinder)
ChEBI CHEBI:34507
ChEMBL Ligand CHEMBL1513985
GtoPdb PubChem SID 178100935
PubChem CID 2201
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Tocris
9-AC
Cat. No. 0963