Basic information
- CAS
122246-01-9- Standard SMILES
O=C(O)CCC1=CCOC1=O- InChIKey
KCUAENDTKWKODS-UHFFFAOYSA-N- Molecular formula
- C7H8O4
- Average molar mass
- 156.14 g/mol
- Monoisotopic mass
- 156.04225873
Overview
MH-031 is a butenolide.
Names & identifiers
- Preferred name
- 3-(2-Oxo-2,5-dihydro-3-furanyl)propanoic acid
- IUPAC
- 3-(5-oxo-2H-furan-4-yl)propanoic acid
- English name
- MH 031
- Molecular weight
- 0
Names & synonyms
3-(5-oxo-2H-furan-4-yl)propanoic acid122246-01-93-(2-Oxo-2,5-dihydro-3-furanyl)propanoic acidDTXSID101535513-Furanpropanoic acid, 2,5-dihydro-2-oxo-RefChem:92234DTXCID5076042MH-031MH 0313-(2-oxo-2,5-dihydrofuran-3-yl)propanoic acidSCHEMBL9776623CHEMBL2047551
Show more names
2,5-Dihydro-2-oxofuran-3-propionic acid2,5-Dihydro-2-oxo-3-furanpropanoic acid
CHEBI:217369AKOS0062737073-(5-oxo-2H-uran-4-yl)propanoic acid
Database identifiers
- CAS
122246-01-9- PubChem CID
- 129609
- DTXSID
DTXSID10153551- ChEMBL
CHEMBL2047551- ChEBI
CHEBI:217369- Nikkaji
- J431.080B
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 216
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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