Basic information
- CAS
5349-56-4- Standard SMILES
CCCOC(=O)CCOC- InChIKey
JCMFJIHDWDKYIL-UHFFFAOYSA-N- Molecular formula
- C7H14O3
- Average molar mass
- 146.18 g/mol
- Monoisotopic mass
- 146.0942943
Names & identifiers
- Preferred name
- Propyl 3-methoxypropanoate
- IUPAC
- propyl 3-methoxypropanoate
- English name
- propyl 3-methoxypropanoate
- Molecular formula
- C7H14O3
- Molecular weight
- 146.18
Names & synonyms
propyl 3-methoxypropanoate5349-56-4NSC-1257NSC1257propyl 3-methoxypropionate3R2JZF4PL7SCHEMBL141329DTXSID60277231NSC 12573-methoxy-propanoic acid propyl esterAKOS011882401Propanoic acid, 3-methoxy-, propyl ester
Show more names
3-METHOXYPROPIONIC ACID, PROPYL ESTERPROPIONIC ACID, 3-METHOXY-, PROPYL ESTER
Database identifiers
- CAS
5349-56-4- PubChem CID
- 219670
- DTXSID
DTXSID60277231- UNII
- 3R2JZF4PL7
- Nikkaji
- J191.544D
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 90.9
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Boiling point
- 205.8 °C · 205.8°C (rough estimate)
- Density
- 1.0429 · 1.0429 (rough estimate)
- refractive index
- 1.485 · 1.4850 (estimate)
- Water Solubility
- 31.01 g/L · 31.01g/L(25 ºC)
- FDA UNII
- 3 R2JZF4PL7 · 3R2JZF4PL7
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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