3-(2-Oxo-propylsulfanyl)-benzoic acid
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Basic information
- Standard SMILES
CC(=O)CSc1cccc(C(=O)O)c1- InChIKey
YRFZZXYZJCVWLS-UHFFFAOYSA-N- Molecular formula
- C10H10O3S
- Average molar mass
- 210.25 g/mol
Names & identifiers
- Preferred name
- 3-(2-Oxo-propylsulfanyl)-benzoic acid
- IUPAC
- 3-(2-oxopropylsulfanyl)benzoic acid
Names & synonyms
SCHEMBL670993YRFZZXYZJCVWLS-UHFFFAOYSA-N3-(2-Oxo-propylsulfanyl)-benzoic acid
Database identifiers
- PubChem CID
- 66765083
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 79.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 227
Related reactions
2 records
Compound notes
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