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Structure
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| Relationships |
Total Number of functionally related protein(s) :
76
Total Number of Articles : 102
|
| PubChem |
811
|
| Molecular Formula |
C5H6O4 |
| SMILES |
C=C(CC(=O)O)C(=O)O |
| InChI |
InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h1-2H2,(H,6,7)(H,8,9) |
| synonyms |
- Itaconic acid
- 97-65-4
- 2-methylidenebutanedioic acid
- METHYLENESUCCINIC ACID
- Propylenedicarboxylic acid
- Methylenebutanedioic acid
- Butanedioic acid, methylene-
- 2-Propene-1,2-dicarboxylic acid
- Succinic acid, methylene-
- 2-methylenebutanedioic acid
- butanedioic acid, 2-methylene-
- HSDB 5308
- AI3-16901
- NSC 3357
- EINECS 202-599-6
- DTXSID2026608
- CHEBI:30838
- NSC-3357
- Q4516562YH
- ITACONIC ACID [MI]
- DTXCID006608
- EC 202-599-6
- 2-METHYLENE,1,4-BUTANEDIOIC ACID (ITACONIC ACID)
- Succinic acid, methylene
- Butanedioic acid, methylene
- 2Propene1,2dicarboxylic acid
- ITACONIC ACID [INCI]
- hydron;2-methylidenebutanedioate
- Succinic acid, methylene-(8CI)
- 202-599-6
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| Properties |
| Property |
Value |
| MW |
130.10 g/mol |
| HBD |
2 |
| HBA |
4 |
| Rotatable Bond Count |
3 |
| Exact Mass |
130.02660867 g/mol |
| Monoisotopic Mass |
130.02660867 g/mol |
| Heavy Atom Count |
9 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
0 |
| Covalent Unit Count |
1 |
| Complexity |
158 |
| xlogp |
-0.1 |
| Topological Polar Surface Area |
74.6 |
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