Basic information
- Standard SMILES
CCOC(=O)C#CCCO- InChIKey
KNCDIZYTJUXNDA-UHFFFAOYSA-N- Molecular formula
- C7H10O3
- Average molar mass
- 142.15 g/mol
- Monoisotopic mass
- 142.06299418
Names & identifiers
- Preferred name
- Ethyl 5-hydroxypent-2-ynoate
- IUPAC
- ethyl 5-hydroxypent-2-ynoate
Names & synonyms
90512-13-32-Pentynoic acid, 5-hydroxy-, ethyl esterethyl 5-hydroxypent-2-ynoateSCHEMBL187851KNCDIZYTJUXNDA-UHFFFAOYSA-N5-Hydroxy-pent-2-ynoic acid ethyl esterDA-01271
Database identifiers
- PubChem CID
- 15057368
- Nikkaji
- J1.600.262C
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 160
Related reactions
2 records
Compound notes
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