Basic information
- Standard SMILES
COC(=O)CCC#CCCC(=O)O- InChIKey
LTFSXFLELSODMY-UHFFFAOYSA-N- Molecular formula
- C9H12O4
- Average molar mass
- 184.19 g/mol
Names & identifiers
- Preferred name
- 6-Methoxycarbonyl-1-carboxy-3-hexyne
- IUPAC
- 8-methoxy-8-oxooct-4-ynoic acid
Names & synonyms
SCHEMBL9187703LTFSXFLELSODMY-UHFFFAOYSA-N6-methoxycarbonyl-1-carboxy-3-hexyne
Database identifiers
- PubChem CID
- 10976151
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 243
Related reactions
10 records
Compound notes
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