0PA
Summary
Name: | cyclopentylacetic acid |
Formula: | C7 H12 O2 |
Formal charge: | 0 |
Formula weight: | 128.169 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | cyclopentylacetic acid |
OpenEye OEToolkits | 1.5.0 | 2-cyclopentylethanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)CC1CCCC1 |
SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)CC1CCCC1 |
SMILES | CACTVS | 3.341 | OC(=O)CC1CCCC1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1CCC(C1)CC(=O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | C1CCC(C1)CC(=O)O |
InChI | InChI | 1.03 | InChI=1S/C7H12O2/c8-7(9)5-6-3-1-2-4-6/h6H,1-5H2,(H,8,9) |
InChIKey | InChI | 1.03 | YVHAIVPPUIZFBA-UHFFFAOYSA-N |