Basic information
- Standard SMILES
COC(=O)COc1ccc(S)c2c1CCC2- InChIKey
SYQAXUAVRVDBBM-UHFFFAOYSA-N- Molecular formula
- C12H14O3S
- Average molar mass
- 238.3 g/mol
Names & identifiers
- Preferred name
- (7-Mercapto-indan-4-yloxy)-acetic Acid Methyl Ester
- IUPAC
- methyl 2-[(7-sulfanyl-2,3-dihydro-1H-inden-4-yl)oxy]acetate
Names & synonyms
(7-Mercapto-indan-4-yloxy)-acetic Acid Methyl EsterSCHEMBL2068684SYQAXUAVRVDBBM-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 20770872
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 36.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 257
Related reactions
28 records
Compound notes
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