4-Pentenoic acid, 2-hydroxy-, butyl ester
Basic information
- CAS
193553-13-8- Standard SMILES
C=CCC(O)C(=O)OCCCC- InChIKey
QWXPSVGZSXTLAG-UHFFFAOYSA-N- Molecular formula
- C9H16O3
- Average molar mass
- 172.22 g/mol
- Monoisotopic mass
- 172.10994437
Names & identifiers
- Preferred name
- 4-Pentenoic acid, 2-hydroxy-, butyl ester
- IUPAC
- butyl 2-hydroxypent-4-enoate
Names & synonyms
4-Pentenoic acid, 2-hydroxy-, butyl ester193553-13-8Butyl 2-hydroxypent-4-enoateDTXSID80454961
Database identifiers
- CAS
193553-13-8- PubChem CID
- 11095087
- DTXSID
DTXSID80454961- Nikkaji
- J888.408K
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 143
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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