I75
Summary
Name: | 1-(4-hydroxy-3-methoxyphenyl)ethanone |
Formula: | C9 H10 O3 |
Formal charge: | 0 |
Formula weight: | 166.174 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 1-(4-hydroxy-3-methoxyphenyl)ethanone |
OpenEye OEToolkits | 1.7.2 | 1-(3-methoxy-4-oxidanyl-phenyl)ethanone |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(c1cc(OC)c(O)cc1)C |
InChI | InChI | 1.03 | InChI=1S/C9H10O3/c1-6(10)7-3-4-8(11)9(5-7)12-2/h3-5,11H,1-2H3 |
InChIKey | InChI | 1.03 | DFYRUELUNQRZTB-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | COc1cc(ccc1O)C(C)=O |
SMILES | CACTVS | 3.370 | COc1cc(ccc1O)C(C)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | CC(=O)c1ccc(c(c1)OC)O |
SMILES | OpenEye OEToolkits | 1.7.2 | CC(=O)c1ccc(c(c1)OC)O |