C54
Summary
Name: | (1R)-cyclopent-2-ene-1-carboxylic acid |
Formula: | C6 H8 O2 |
Formal charge: | 0 |
Formula weight: | 112.127 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | (1R)-cyclopent-2-ene-1-carboxylic acid |
OpenEye OEToolkits | 1.9.2 | (1R)-cyclopent-2-ene-1-carboxylic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)C1C=CCC1 |
InChI | InChI | 1.03 | InChI=1S/C6H8O2/c7-6(8)5-3-1-2-4-5/h1,3,5H,2,4H2,(H,7,8)/t5-/m0/s1 |
InChIKey | InChI | 1.03 | MOMBAXHNIPLMSI-YFKPBYRVSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@@H]1CCC=C1 |
SMILES | CACTVS | 3.385 | OC(=O)[CH]1CCC=C1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C1C[C@H](C=C1)C(=O)O |
SMILES | OpenEye OEToolkits | 1.9.2 | C1CC(C=C1)C(=O)O |