7N0
Summary
Name: | 2-[(1~{S})-2-oxidanylidenecyclopentyl]ethanoic acid |
Formula: | C7 H10 O3 |
Formal charge: | 0 |
Formula weight: | 142.152 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.6 | 2-[(1~{S})-2-oxidanylidenecyclopentyl]ethanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C7H10O3/c8-6-3-1-2-5(6)4-7(9)10/h5H,1-4H2,(H,9,10)/t5-/m0/s1 |
InChIKey | InChI | 1.03 | OLLLIBGOZUPLOK-YFKPBYRVSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C[C@@H]1CCCC1=O |
SMILES | CACTVS | 3.385 | OC(=O)C[CH]1CCCC1=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C1C[C@H](C(=O)C1)CC(=O)O |
SMILES | OpenEye OEToolkits | 2.0.6 | C1CC(C(=O)C1)CC(=O)O |