Basic information
- Standard SMILES
C=CCCOC(=O)C(C)Cl- InChIKey
VZLFFQDRAJPQON-UHFFFAOYSA-N- Molecular formula
- C7H11ClO2
- Average molar mass
- 162.61 g/mol
- Monoisotopic mass
- 162.0447573
Names & identifiers
- Preferred name
- Propanoic acid, 2-chloro, 3-butenyl ester
- IUPAC
- but-3-enyl 2-chloropropanoate
Names & synonyms
Propanoic acid, 2-chloro, 3-butenyl esterCH3CHClCOOCH2CH2CH=CH2SCHEMBL14456617CH3CHClCOO(CH2)2CH=CH2
Database identifiers
- PubChem CID
- 523724
- Nikkaji
- J2.347.202C
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 123
Experimental & physicochemical properties
Kovats Retention Index
1007；1020；1024；1030；998
1453；1454；1458
Related reactions
4 records
Compound notes
Loading…