2-(2-Thioxo-2,3-dihydro-benzooxazol-5-yl)-propionic acid
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Basic information
- Standard SMILES
CC(C(=O)O)c1ccc2oc(=S)[nH]c2c1- InChIKey
PVHVAKNTZFGAKM-UHFFFAOYSA-N- Molecular formula
- C10H9NO3S
- Average molar mass
- 223.25 g/mol
- Monoisotopic mass
- 223.03031432
Names & identifiers
- Preferred name
- 2-(2-Thioxo-2,3-dihydro-benzooxazol-5-yl)-propionic acid
- IUPAC
- 2-(2-sulfanylidene-3H-1,3-benzoxazol-5-yl)propanoic acid
Names & synonyms
SCHEMBL4150205PVHVAKNTZFGAKM-UHFFFAOYSA-N2-(2-Thioxo-2,3-dihydro-benzooxazol-5-yl)-propionic acid
Database identifiers
- PubChem CID
- 57742153
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 90.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 294
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Related reactions
3 records
Compound notes
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