Basic information
- CAS
42791-70-8- Standard SMILES
COC(=O)O/C(C)=C\C(C)=O- InChIKey
RPONIAOYKGTEGI-XQRVVYSFSA-N- Molecular formula
- C7H10O4
- Average molar mass
- 158.15 g/mol
- Monoisotopic mass
- 158.0579088
Names & identifiers
- Preferred name
- Carbonic acid, methyl 1-methyl-3-oxo-1-butenyl ester, (Z)-
- IUPAC
- methyl [(Z)-4-oxopent-2-en-2-yl] carbonate
Names & synonyms
42791-70-8Carbonic acid, methyl 1-methyl-3-oxo-1-butenyl ester, (Z)-RefChem:333421DTXSID801194618Methyl (2Z)-4-oxopent-2-en-2-yl carbonate
Database identifiers
- CAS
42791-70-8- PubChem CID
- 10057768
- DTXSID
DTXSID801194618- Nikkaji
- J683.618F
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 193
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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