Basic information
- CAS
453515-34-9- Standard SMILES
Cc1ccc(C(=O)OCC(N)=O)s1- InChIKey
AFKKHXCKKBWHIB-UHFFFAOYSA-N- Molecular formula
- C8H9NO3S
- Average molar mass
- 199.23 g/mol
Names & identifiers
- Preferred name
- (2-Amino-2-oxoethyl) 5-methylthiophene-2-carboxylate
- IUPAC
- (2-amino-2-oxoethyl) 5-methylthiophene-2-carboxylate
- English name
- 2-Thiophenecarboxylicacid,5-methyl-,2-amino-2-oxoethylester(9CI)
- Molecular formula
- C8H9NO3S
- Molecular weight
- 199.22696
Names & synonyms
Enamine_004901HMS1407O17AKOS027407533Z197601712-Thiophenecarboxylicacid,5-methyl-,2-amino-2-oxoethylester(9CI)
Database identifiers
- CAS
453515-34-9
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 97.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 219
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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