Basic information
- CAS
6670-61-7- Standard SMILES
O=C(O)CCC(=O)C=CC=C(O)C(=O)O- InChIKey
RFENOVFRMPRRJI-UHFFFAOYSA-N- Molecular formula
- C9H10O6
- Average molar mass
- 214.17 g/mol
- Monoisotopic mass
- 214.04773803
Names & identifiers
- Preferred name
- 2-Hydroxy-6-oxo-2,4-nonadienedioic acid
- IUPAC
- 2-hydroxy-6-oxonona-2,4-dienedioic acid
Names & synonyms
DTXSID7012806802-Hydroxy-6-oxo-2,4-nonadienedioic acid6670-61-7RefChem:935484DTXCID8017114222-hydroxy-6-oxonona-2,4-dienedioic acidSCHEMBL29373332-hydroxy-6-oxonona-2,4-diene-1,9-dioic acidQ27102340
Database identifiers
- CAS
6670-61-7- PubChem CID
- 42
- DTXSID
DTXSID701280680
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 325
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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