Basic information
- CAS
31926-70-2- Standard SMILES
O=C(O)c1cscc1Cc1ccccc1- InChIKey
YQOJOOWCCUYKSQ-UHFFFAOYSA-N- Molecular formula
- C12H10O2S
- Average molar mass
- 218.27 g/mol
- Monoisotopic mass
- 218.04015073
Names & identifiers
- Preferred name
- 4-Benzyl-3-thiophenecarboxylic acid
- IUPAC
- 4-benzylthiophene-3-carboxylic acid
- English name
- 4-Benzylthiophene-3-carboxylic acid
- Molecular formula
- C12H10O2S
- Molecular weight
- 218.27
Names & synonyms
4-Benzyl-3-thiophenecarboxylic acid31926-70-2FBY8LNI9IDUNII-FBY8LNI9IDNSC 149699NSC-149699DTXSID201857623-THIOPHENECARBOXYLIC ACID, 4-(PHENYLMETHYL)-RefChem:97973DTXCID601082534-benzylthiophene-3-carboxylic acidNSC149699
Database identifiers
- CAS
31926-70-2- PubChem CID
- 288487
- DTXSID
DTXSID20185762- UNII
- FBY8LNI9ID
- Nikkaji
- J88.753F
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 224
Physicochemical properties
- FDA UNII
- 8 LNI9ID · FBY8LNI9ID
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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