Completing data — refresh the page later to see the latest
Basic information
- CAS
74324-97-3- Standard SMILES
O=C(O)CCC(=O)c1cc2ccccc2s1- InChIKey
YLQXTWUMTGDFKI-UHFFFAOYSA-N- Molecular formula
- C12H10O3S
- Average molar mass
- 234.27 g/mol
- Monoisotopic mass
- 234.03506535
Names & identifiers
- Preferred name
- 4-(1-Benzothiophen-2-yl)-4-oxobutanoic acid
- IUPAC
- 4-(1-benzothiophen-2-yl)-4-oxobutanoic acid
Names & synonyms
74324-97-34-(1-benzothiophen-2-yl)-4-oxobutanoic acidNSC170812SCHEMBL11232455DTXSID70305453YLQXTWUMTGDFKI-UHFFFAOYSA-NNSC-170812gamma-oxo-benzo[b]thiophene-2-butyric acid
Database identifiers
- CAS
74324-97-3- PubChem CID
- 298601
- DTXSID
DTXSID70305453
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 82.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 290
Related reactions
4 records
Compound notes
Loading…