9TY
Summary
Name: | cyclopropane-1,1-dicarboxylic acid |
Formula: | C5 H6 O4 |
Formal charge: | 0 |
Formula weight: | 130.099 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | cyclopropane-1,1-dicarboxylic acid |
OpenEye OEToolkits | 2.0.6 | cyclopropane-1,1-dicarboxylic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C(=O)(O)C1(C(O)=O)CC1 |
InChI | InChI | 1.03 | InChI=1S/C5H6O4/c6-3(7)5(1-2-5)4(8)9/h1-2H2,(H,6,7)(H,8,9) |
InChIKey | InChI | 1.03 | FDKLLWKMYAMLIF-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C1(CC1)C(O)=O |
SMILES | CACTVS | 3.385 | OC(=O)C1(CC1)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C1CC1(C(=O)O)C(=O)O |
SMILES | OpenEye OEToolkits | 2.0.6 | C1CC1(C(=O)O)C(=O)O |