Basic information
- Standard SMILES
NC(=CC=CC(=O)O)C(=O)O- InChIKey
ZRHONLCTYUYMIQ-UHFFFAOYSA-N- Molecular formula
- C6H7NO4
- Average molar mass
- 157.12 g/mol
- Monoisotopic mass
- 157.0375077
Names & identifiers
- Preferred name
- 2,4-Hexadienedioicacid, 2-amino-
- IUPAC
- 2-aminohexa-2,4-dienedioic acid
Names & synonyms
2,4-Hexadienedioicacid, 2-amino-DTXSID70274256RefChem:246740DTXCID00225736SCHEMBL28815Q42403262
Database identifiers
- CAS
4548-99-6- PubChem CID
- 28
- DTXSID
DTXSID70274256
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 229
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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