Basic information
- Standard SMILES
COC(=O)C1CC=CC(OC)O1- InChIKey
BEPDBZBIHYPLTB-UHFFFAOYSA-N- Molecular formula
- C8H12O4
- Average molar mass
- 172.18 g/mol
Names & identifiers
- Preferred name
- 2H-Pyran-2-carboxylic acid, 3,6-dihydro-6-methoxy-, methyl ester
- IUPAC
- methyl 6-methoxy-3,6-dihydro-2H-pyran-2-carboxylate
Names & synonyms
22870-43-5SCHEMBL96798142H-Pyran-2-carboxylic acid, 3,6-dihydro-6-methoxy-, methyl ester2-methoxy-6-methoxycarbonyl-5,6-dihydropyranMethyl 6-methoxy-3,6-dihydro-2H-pyran-2-carboxylate #
Database identifiers
- PubChem CID
- 557266
- Nikkaji
- J102.421C
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 187
Related reactions
2 records
Compound notes
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