2H-Pyran-2-carboxylic acid, 3,6-dihydro-6-methoxy-, ethyl ester
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Basic information
- CAS
25556-18-7- Standard SMILES
CCOC(=O)C1CC=CC(OC)O1- InChIKey
ZOTGPTQNWLHTNN-UHFFFAOYSA-N- Molecular formula
- C9H14O4
- Average molar mass
- 186.2 g/mol
- Monoisotopic mass
- 186.08920892
Names & identifiers
- Preferred name
- 2H-Pyran-2-carboxylic acid, 3,6-dihydro-6-methoxy-, ethyl ester
- IUPAC
- ethyl 6-methoxy-3,6-dihydro-2H-pyran-2-carboxylate
- English name
- 3,6-Dihydro-6-methoxy-2H-pyran-2-carboxylic acid ethyl ester
- Molecular formula
- C9H14O4
- Molecular weight
- 186.21
Names & synonyms
ZOTGPTQNWLHTNN-UHFFFAOYSA-N2H-Pyran-2-carboxylic acid, 3,6-dihydro-6-methoxy-, ethyl esterEthyl 6-methoxy-3,6-dihydro-2H-pyran-2-carboxylate #3,6-Dihydro-6-methoxy-2H-pyran-2-carboxylic acid ethyl ester
Database identifiers
- CAS
25556-18-7- PubChem CID
- 557220
- Nikkaji
- J99.543F
Properties
Computed structural propertiesFilling in
- XLogP
- 1.1
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 200
Physicochemical properties
- Boiling point
- 243.3 · 243.3±40.0 °C(Predicted)
- Density
- 1.09 · 1.09±0.1 g/cm3(Predicted)
Related reactions
0 records
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Compound notes
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