Propanoic acid, 3-chloro, 2-propenyl ester
Basic information
- CAS
62886-12-8- Standard SMILES
C=CCOC(=O)CCCl- InChIKey
CTPKUPQTROHREC-UHFFFAOYSA-N- Molecular formula
- C6H9ClO2
- Average molar mass
- 148.59 g/mol
- Monoisotopic mass
- 148.0291072
Names & identifiers
- Preferred name
- Propanoic acid, 3-chloro, 2-propenyl ester
- IUPAC
- prop-2-enyl 3-chloropropanoate
- English name
- allyl3-chloropropanoate
- Molecular formula
- C6H9ClO2
- Molecular weight
- 148.59
Names & synonyms
Propanoic acid, 3-chloro, 2-propenyl ester62886-12-8DTXSID40335207RefChem:374843DTXCID50286296allyl 3-chloropropionateallyl beta-chloropropionateSCHEMBL464887AKOS006387355PROP-2-EN-1-YL 3-CHLOROPROPANOATEEOS-62163allyl3-chloropropanoate
Show more names
allyl β-chloropropionatePropanoic acid, 3-chloro-, 2-propen-1-yl ester
Database identifiers
- CAS
62886-12-8- PubChem CID
- 523729
- DTXSID
DTXSID40335207
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 101
Physicochemical properties
- Boiling point
- 80 · 80-81 °C(Press: 40 Torr)
- Density
- 1.0806 g/cm3 · 1.0806 g/cm3
Related reactions
1 records
Compound notes
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