Isocitric acid (Standard)

Chemical Information
Isocitric acid is a tricarboxylic acid that is propan-1-ol with a hydrogen at each of the 3 carbon positions replaced by a carboxy group. It has a role as a fundamental metabolite. It is a tricarboxylic acid and a secondary alcohol. It is a conjugate acid of an isocitrate(1-).
| CAS Number | 320-77-4 |
| PubChem CID | 1198 |
| IUPAC Name | 1-hydroxypropane-1,2,3-tricarboxylic acid |
| Molecular Formula | C6H8O7 |
| Molecular Weight | 192.12 |
| XLogP | -1.8 |
| Topological Polar Surface Area | 132 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 233 |
| Property | Value |
|---|---|
| Molecular Weight | 192.12 |
| XLogP3 | -1.8 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 192.02700259 |
| Monoisotopic Mass | 192.02700259 |
| Topological Polar Surface Area | 132 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 233 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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