Basic information
- Standard SMILES
C#CCc1ccc(C(=O)O)cc1- InChIKey
VEALCIROMFSFNA-UHFFFAOYSA-N- Molecular formula
- C10H8O2
- Average molar mass
- 160.17 g/mol
Names & identifiers
- Preferred name
- 4-(Prop-2-YN-1-YL)benzoic acid
- IUPAC
- 4-prop-2-ynylbenzoic acid
Names & synonyms
4-(PROP-2-YN-1-YL)BENZOIC ACID501127-50-04-prop-2-ynylbenzoic acid4-Prop-2-ynyl-benzoic acidSCHEMBL4141280Benzoic acid, 4-(2-propynyl)-VEALCIROMFSFNA-UHFFFAOYSA-NBVA127504-(PROP-2-YN-1-YL)BENZOICACIDDB-285650
Database identifiers
- PubChem CID
- 22723398
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 203
Related reactions
2 records
Compound notes
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