HKA
Summary
Name: | 3-METHOXY-4-PHENOXYBENZOIC ACID |
Formula: | C14 H12 O4 |
Formal charge: | 0 |
Formula weight: | 244.243 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 3-methoxy-4-phenoxybenzoic acid |
OpenEye OEToolkits | 1.9.2 | 3-methoxy-4-phenoxy-benzoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)c2cc(OC)c(Oc1ccccc1)cc2 |
InChI | InChI | 1.03 | InChI=1S/C14H12O4/c1-17-13-9-10(14(15)16)7-8-12(13)18-11-5-3-2-4-6-11/h2-9H,1H3,(H,15,16) |
InChIKey | InChI | 1.03 | BHLHNTNYVDUKFV-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(ccc1Oc2ccccc2)C(O)=O |
SMILES | CACTVS | 3.385 | COc1cc(ccc1Oc2ccccc2)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | COc1cc(ccc1Oc2ccccc2)C(=O)O |
SMILES | OpenEye OEToolkits | 1.9.2 | COc1cc(ccc1Oc2ccccc2)C(=O)O |