Basic information
- CAS
827321-91-5- Standard SMILES
O=C(O)c1ccc(C#CCCO)cc1- InChIKey
ARYFWUPWLDKSPD-UHFFFAOYSA-N- Molecular formula
- C11H10O3
- Average molar mass
- 190.19 g/mol
- Monoisotopic mass
- 190.06299418
Names & identifiers
- Preferred name
- 4-(4-Hydroxybut-1-yn-1-yl)benzoic acid
- IUPAC
- 4-(4-hydroxybut-1-ynyl)benzoic acid
Names & synonyms
827321-91-54-(4-Hydroxybut-1-yn-1-yl)benzoic acidBenzoic acid, 4-(4-hydroxy-1-butynyl)-DTXSID10836872AKOS040816725F2167-6244
Database identifiers
- CAS
827321-91-5- PubChem CID
- 71417536
- DTXSID
DTXSID10836872
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 250
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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