Basic information
- CAS
19947-43-4- Standard SMILES
CCC(OC(C)=O)C(=O)O- InChIKey
GELZYBXBKFHYEN-UHFFFAOYSA-N- Molecular formula
- C6H10O4
- Average molar mass
- 146.14 g/mol
- Monoisotopic mass
- 146.0579088
Names & identifiers
- Preferred name
- 2-(Acetyloxy)butanoic acid
- IUPAC
- 2-acetyloxybutanoic acid
Names & synonyms
19947-43-42-(Acetyloxy)butanoic acidDTXSID70536927RefChem:253087DTXCID004877162-acetoxybutanoic acid2-acetyloxybutanoic acid(+/-)-2-Acetoxybutyric Acid2-acetoxybutyric acidacetoxybutyric acidSCHEMBL4464866GELZYBXBKFHYEN-UHFFFAOYSA-N
Show more names
AKOS006380912
Database identifiers
- CAS
19947-43-4- PubChem CID
- 13327294
- DTXSID
DTXSID70536927- Nikkaji
- J1.923.976D
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 141
Related reactions
2 records
Compound notes
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