5-Methyl-5,6-dihydro-4H-cyclopenta[B]thiophene-3-carboxylic acid
Basic information
- CAS
937599-50-3- Standard SMILES
CC1Cc2scc(C(=O)O)c2C1- InChIKey
NIIQEOAKRRGKNS-UHFFFAOYSA-N- Molecular formula
- C9H10O2S
- Average molar mass
- 182.24 g/mol
- Monoisotopic mass
- 182.04015073
Names & identifiers
- Preferred name
- 5-Methyl-5,6-dihydro-4H-cyclopenta[B]thiophene-3-carboxylic acid
- IUPAC
- 5-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid
Names & synonyms
937599-50-35-METHYL-5,6-DIHYDRO-4H-CYCLOPENTA[B]THIOPHENE-3-CARBOXYLIC ACID5,6-Dihydro-5-methyl-4H-cyclopenta[b]thiophene-3-carboxylic acid5-METHYL-4H,5H,6H-CYCLOPENTA[B]THIOPHENE-3-CARBOXYLIC ACIDDTXSID901172637AKOS0003136755-METHYL-5,6-DIHYDRO-4H-CYCLOPENTA[B]THIOPHENE-3-CARBOXYLICACID
Database identifiers
- CAS
937599-50-3- PubChem CID
- 19622693
- DTXSID
DTXSID901172637
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 205
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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