Basic information
- CAS
58973-18-5- Standard SMILES
COC(C(=O)O)=C(C)C- InChIKey
XAMIXYGJNHHXEG-UHFFFAOYSA-N- Molecular formula
- C6H10O3
- Average molar mass
- 130.14 g/mol
- Monoisotopic mass
- 130.06299418
Names & identifiers
- Preferred name
- 2-Methoxy-3-methyl-2-butenoic acid
- IUPAC
- 2-methoxy-3-methylbut-2-enoic acid
Names & synonyms
2-METHOXY-3-METHYL-2-BUTENOIC ACID58973-18-52-methoxy-3-methylbut-2-enoic acidSCHEMBL14498317DTXSID20207711AKOS006377046
Database identifiers
- CAS
58973-18-5- PubChem CID
- 42916
- DTXSID
DTXSID20207711- Nikkaji
- J558.660G
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 142
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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