Basic information
- CAS
5617-54-9- Standard SMILES
O=C(CC(=O)C(=O)O)CC(=O)C(=O)O- InChIKey
VIZWSBKJYCBUCA-UHFFFAOYSA-N- Molecular formula
- C7H6O7
- Average molar mass
- 202.12 g/mol
- Monoisotopic mass
- 202.01135253
Names & identifiers
- Preferred name
- 2,4,6-Trioxoheptanedioic acid
- IUPAC
- 2,4,6-trioxoheptanedioic acid
- English name
- 2,4,6-trioxoheptanedioic acid
- Molecular formula
- C7H6O7
- Molecular weight
- 202.11834
Names & synonyms
2,4,6-Trioxoheptanedioic acid5617-54-9EINECS 227-042-4DTXSID20204700RefChem:82171DTXCID10127191227-042-4HC7X7VH2YGUNII-HC7X7VH2YGVIZWSBKJYCBUCA-UHFFFAOYSA-NHeptanedioic acid, 2,4,6-trioxo-NS00033474
Show more names
Xanthochelidonic acid
Database identifiers
- CAS
5617-54-9- PubChem CID
- 79719
- DTXSID
DTXSID20204700- UNII
- HC7X7VH2YG
- EC Number
- 227-042-4
- Nikkaji
- J13.489I
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 284
Physicochemical properties
- FDA UNII
- 7 X7VH2YG · HC7X7VH2YG
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…