LUB
Summary
| Name: | 4-(Hydroxymethyl)-2-propylfuran-3-carboxylic acid |
| Formula: | C9 H14 O4 |
| Formal charge: | 0 |
| Formula weight: | 186.205 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-4-(hydroxymethyl)-2-propyl-2,5-dihydrofuran-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H14O4/c1-2-3-7-8(9(11)12)6(4-10)5-13-7/h7,10H,2-5H2,1H3,(H,11,12)/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | ZQVNOVXAPYHZNS-ZETCQYMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC[C@@H]1OCC(=C1C(O)=O)CO |
| SMILES | CACTVS | 3.385 | CCC[CH]1OCC(=C1C(O)=O)CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCC[C@H]1C(=C(CO1)CO)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCC1C(=C(CO1)CO)C(=O)O |
