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Structure
|
|
| Relationships |
Total Number of functionally related protein(s) :
8
Total Number of Articles : 6
|
| PubChem |
14925
|
| Molecular Formula |
C6H8O6 |
| SMILES |
C(C(CC(=O)O)C(=O)O)C(=O)O |
| InChI |
InChI=1S/C6H8O6/c7-4(8)1-3(6(11)12)2-5(9)10/h3H,1-2H2,(H,7,8)(H,9,10)(H,11,12) |
| synonyms |
- Tricarballylic acid
- 99-14-9
- 1,2,3-Propanetricarboxylic acid
- Propane-1,2,3-tricarboxylic acid
- Carballylic acid
- Tricarballylate
- beta-Carboxyglutaric acid
- 1,2,3-Propanetricarboxylicacid
- 3-carboxyglutaric acid
- NSC2347
- Propane 1,2,3-tricarboxylic acid
- .beta.-Carboxyglutaric acid
- CHEBI:45969
- PROPANE TRICARBOXYLIC ACID
- carboxymethylsuccinic acid
- NSC-2347
- 3-carboxypentanedioic acid
- RA5QH2J020
- 1,2,3-Tripropanetricarboxylic acid
- MFCD00002723
- TRC
- UNII-RA5QH2J020
- NSC 2347
- EINECS 202-733-3
- AI3-52246
- 1,2,3-tricarboxypropane
- Tricarballylic acid, 99%
- NCIStruc1_000003
- NCIStruc2_000057
- SCHEMBL34866
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|
| Properties |
| Property |
Value |
| MW |
176.12 g/mol |
| HBD |
3 |
| HBA |
6 |
| Rotatable Bond Count |
5 |
| Exact Mass |
176.03208797 g/mol |
| Monoisotopic Mass |
176.03208797 g/mol |
| Heavy Atom Count |
12 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
0 |
| Covalent Unit Count |
1 |
| Complexity |
192 |
| xlogp |
-1.2 |
| Topological Polar Surface Area |
112 |
|