Basic information
- CAS
1020046-40-5- Standard SMILES
COc1ccc(C(=NO)OC(=O)C=Cc2cccs2)cc1- InChIKey
FQFQEKOBOUGAQY-UHFFFAOYSA-N- Molecular formula
- C15H13NO4S
- Average molar mass
- 303.3 g/mol
- Monoisotopic mass
- 303.05652907
Names & identifiers
- Preferred name
- 2-Propenoic acid, 3-(2-thienyl)-, anhydride with N-hydroxy-4-methoxybenzenecarboximidic acid
- IUPAC
- [N-hydroxy-C-(4-methoxyphenyl)carbonimidoyl] 3-thiophen-2-ylprop-2-enoate
Names & synonyms
DTXSID4011204932-Propenoic acid, 3-(2-thienyl)-, anhydride with N-hydroxy-4-methoxybenzenecarboximidic acid1020046-40-5
Database identifiers
- CAS
1020046-40-5- PubChem CID
- 53397151
- DTXSID
DTXSID401120493
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 96.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 402
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…