3-(10-Methyl-9-anthryl)propanoic acid
Basic information
- CAS
109250-95-5- Standard SMILES
Cc1c2ccccc2c(CCC(=O)O)c2ccccc12- InChIKey
CKQINRXZVYBCSC-UHFFFAOYSA-N- Molecular formula
- C18H16O2
- Average molar mass
- 264.3 g/mol
- Monoisotopic mass
- 264.11502975
Overview
3-(10-methyl-9-anthryl)propanoic acid is anthracene substituted at C-9 by a propionic acid group and at C-10 by a methyl group. It is a monocarboxylic acid and a member of anthracenes.
Names & identifiers
- Preferred name
- 3-(10-Methyl-9-anthryl)propanoic acid
- IUPAC
- 3-(10-methylanthracen-9-yl)propanoic acid
Names & synonyms
3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID3-(10-methylanthracen-9-yl)propanoic acid3-(10-methyl-9-anthryl)propanoic acid3-(10-methyl-9-anthryl)propionic acidCHEBI:40677RefChem:489646Epitope ID:164058SCHEMBL11987690DTXSID40129055110-Methyl-9-anthracenepropanoic acidDB07371109250-95-5
Show more names
PD005849NS00068970Q27096594
Database identifiers
- CAS
109250-95-5- PubChem CID
- 446967
- DTXSID
DTXSID401290551- ChEBI
CHEBI:40677
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 327
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Related reactions
0 records
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Compound notes
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