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Structure
|
|
| Relationships |
Total Number of functionally related protein(s) :
1
Total Number of Articles : 1
|
| PubChem |
3080625
|
| Molecular Formula |
C7H8O6 |
| SMILES |
C/C(=C(\CC(=O)O)/C(=O)O)/C(=O)O |
| InChI |
InChI=1S/C7H8O6/c1-3(6(10)11)4(7(12)13)2-5(8)9/h2H2,1H3,(H,8,9)(H,10,11)(H,12,13)/b4-3- |
| synonyms |
- cis-2-Methylaconitate
- alpha-Methylaconitate
- alpha-Methyl-cis-aconitate
- (Z)-but-2-ene-1,2,3-tricarboxylic acid
- 6061-93-4
- cis-2-Butene-1,2,3-tricarboxylic acid
- (2Z)-but-2-ene-1,2,3-tricarboxylic acid
- 2-Butene-1,2,3-tricarboxylic acid, (Z)-
- SCHEMBL12045514
- CHEBI:16717
- DTXSID901284838
- AKOS006309225
- (Z)-2-Butene-1,2,3-tricarboxylic acid
- (2Z)-2-Butene-1,2,3-tricarboxylic acid
- C04225
- (1Z)-1-methylprop-1-ene-1,2,3-tricarboxylic acid
- Q27102041
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| Properties |
| Property |
Value |
| MW |
188.13 g/mol |
| HBD |
3 |
| HBA |
6 |
| Rotatable Bond Count |
4 |
| Exact Mass |
188.03208797 g/mol |
| Monoisotopic Mass |
188.03208797 g/mol |
| Heavy Atom Count |
13 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
0 |
| Covalent Unit Count |
1 |
| Complexity |
287 |
| xlogp |
-0.6 |
| Topological Polar Surface Area |
112 |
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