ZGC
Summary
Name: | 3-(4-methoxyphenyl)propanoic acid |
Formula: | C10 H12 O3 |
Formal charge: | 0 |
Formula weight: | 180.2 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 3-(4-methoxyphenyl)propanoic acid |
OpenEye OEToolkits | 1.7.0 | 3-(4-methoxyphenyl)propanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)CCc1ccc(OC)cc1 |
SMILES_CANONICAL | CACTVS | 3.370 | COc1ccc(CCC(O)=O)cc1 |
SMILES | CACTVS | 3.370 | COc1ccc(CCC(O)=O)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | COc1ccc(cc1)CCC(=O)O |
SMILES | OpenEye OEToolkits | 1.7.0 | COc1ccc(cc1)CCC(=O)O |
InChI | InChI | 1.03 | InChI=1S/C10H12O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-3,5-6H,4,7H2,1H3,(H,11,12) |
InChIKey | InChI | 1.03 | FIUFLISGGHNPSM-UHFFFAOYSA-N |