2-Thiophenecarboxylic acid, 2-methylphenyl ester
Basic information
- CAS
38281-68-4- Standard SMILES
Cc1ccccc1OC(=O)c1cccs1- InChIKey
GMPPUOGQRVKMAE-UHFFFAOYSA-N- Molecular formula
- C12H10O2S
- Average molar mass
- 218.27 g/mol
- Monoisotopic mass
- 218.04015073
Names & identifiers
- Preferred name
- 2-Thiophenecarboxylic acid, 2-methylphenyl ester
- IUPAC
- (2-methylphenyl) thiophene-2-carboxylate
Names & synonyms
2-Thiophenecarboxylic acid, 2-methylphenyl ester38281-68-4RefChem:2673502-Methylphenyl 2-thiophenecarboxylate(2-methylphenyl) thiophene-2-carboxylate2-methylphenyl thiophene-2-carboxylateGMPPUOGQRVKMAE-UHFFFAOYSA-NDTXSID101239510AKOS0030464822-Methylphenyl 2-thiophenecarboxylate #AO-548/41044788
Database identifiers
- CAS
38281-68-4- PubChem CID
- 573753
- DTXSID
DTXSID101239510
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 230
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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