V1U
Summary
Name: | 2-(2-methoxyethoxy)benzoic acid |
Formula: | C10 H12 O4 |
Formal charge: | 0 |
Formula weight: | 196.2 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 2-(2-methoxyethoxy)benzoic acid |
OpenEye OEToolkits | 2.0.7 | 2-(2-methoxyethoxy)benzoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)c1ccccc1OCCOC |
InChI | InChI | 1.06 | InChI=1S/C10H12O4/c1-13-6-7-14-9-5-3-2-4-8(9)10(11)12/h2-5H,6-7H2,1H3,(H,11,12) |
InChIKey | InChI | 1.06 | LRIXKEQGKQFQAO-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COCCOc1ccccc1C(O)=O |
SMILES | CACTVS | 3.385 | COCCOc1ccccc1C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COCCOc1ccccc1C(=O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | COCCOc1ccccc1C(=O)O |