Propylidenepropanedioic acid
Basic information
- CAS
4475-19-8- Standard SMILES
CCC=C(C(=O)O)C(=O)O- InChIKey
FJWCTQCMDWCKEC-UHFFFAOYSA-N- Molecular formula
- C6H8O4
- Average molar mass
- 144.12 g/mol
- Monoisotopic mass
- 144.04225873
Names & identifiers
- Preferred name
- Propylidenepropanedioic acid
- IUPAC
- 2-propylidenepropanedioic acid
Names & synonyms
propylidenepropanedioic acid4475-19-8DTXSID60299059RefChem:375638DTXCID70250196PropylidenmalonsaureNSC127863SCHEMBL190066SCHEMBL7061516NSC-127863
Database identifiers
- CAS
4475-19-8- PubChem CID
- 278342
- DTXSID
DTXSID60299059
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 164
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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