ITN
Summary
Name: | 2-methylidenebutanedioic acid |
Formula: | C5 H6 O4 |
Formal charge: | 0 |
Formula weight: | 130.099 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.5 | 2-methylidenebutanedioic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h1-2H2,(H,6,7)(H,8,9) |
InChIKey | InChI | 1.03 | LVHBHZANLOWSRM-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CC(=C)C(O)=O |
SMILES | CACTVS | 3.385 | OC(=O)CC(=C)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | C=C(CC(=O)O)C(=O)O |
SMILES | OpenEye OEToolkits | 2.0.5 | C=C(CC(=O)O)C(=O)O |