Basic information
- CAS
113364-52-6- Standard SMILES
O=C(O)CCc1ccc2c(c1)C(=O)CC2- InChIKey
ZFHOMCHOKGGURG-UHFFFAOYSA-N- Molecular formula
- C12H12O3
- Average molar mass
- 204.22 g/mol
- Monoisotopic mass
- 204.07864424
Names & identifiers
- Preferred name
- 3-(3-Oxoindan-5-yl)propanoic acid
- IUPAC
- 3-(3-oxo-1,2-dihydroinden-5-yl)propanoic acid
Names & synonyms
NSC6749413-(3-Oxo-2,3-dihydro-1H-inden-5-yl)propanoic acid113364-52-63-(3-oxoindan-5-yl)propanoic acidSCHEMBL1477730CHEMBL1973388DTXSID80327661NSC-674941NCI60_026541
Database identifiers
- CAS
113364-52-6- PubChem CID
- 384705
- DTXSID
DTXSID80327661- ChEMBL
CHEMBL1973388
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 272
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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