HMZ
Summary
| Name: | 4-(2-hydroxy-4-methoxyphenyl)-4-oxobutanoic acid |
| Formula: | C11 H12 O5 |
| Formal charge: | 0 |
| Formula weight: | 224.21 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(2-hydroxy-4-methoxyphenyl)-4-oxobutanoic acid |
| OpenEye OEToolkits | 1.7.2 | 4-(4-methoxy-2-oxidanyl-phenyl)-4-oxidanylidene-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(c1ccc(OC)cc1O)CCC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C11H12O5/c1-16-7-2-3-8(10(13)6-7)9(12)4-5-11(14)15/h2-3,6,13H,4-5H2,1H3,(H,14,15) |
| InChIKey | InChI | 1.03 | MMMHZBODZRNHIN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | COc1ccc(C(=O)CCC(O)=O)c(O)c1 |
| SMILES | CACTVS | 3.370 | COc1ccc(C(=O)CCC(O)=O)c(O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | COc1ccc(c(c1)O)C(=O)CCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.2 | COc1ccc(c(c1)O)C(=O)CCC(=O)O |
