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Basic information
- Standard SMILES
O=C(O)COc1ccc(N2CC(=O)NS2(=O)=O)c(O)c1- InChIKey
WYIRTWVMHVUSCR-UHFFFAOYSA-N- Molecular formula
- C10H10N2O7S
- Average molar mass
- 302.26 g/mol
- Monoisotopic mass
- 302.02087184
Names & identifiers
- Preferred name
- [3-Hydroxy-4-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)-phenoxy]-acetic Acid
- IUPAC
- 2-[3-hydroxy-4-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)phenoxy]acetic acid
Names & synonyms
SCHEMBL3916571WYIRTWVMHVUSCR-UHFFFAOYSA-N[3-Hydroxy-4-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)-phenoxy]-acetic Acid
Database identifiers
- PubChem CID
- 57777342
Properties
Computed structural propertiesFilling in
- XLogP
- -0.4
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 500
Related reactions
1 records
Compound notes
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