KJY
Summary
Name: | 2,4-dihydroxy-3,6-dimethylbenzaldehyde |
Formula: | C9 H10 O3 |
Formal charge: | 0 |
Formula weight: | 166.174 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 2,4-dihydroxy-3,6-dimethylbenzaldehyde |
OpenEye OEToolkits | 2.0.6 | 3,6-dimethyl-2,4-bis(oxidanyl)benzaldehyde |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Cc1cc(c(c(O)c1C=O)C)O |
InChI | InChI | 1.03 | InChI=1S/C9H10O3/c1-5-3-8(11)6(2)9(12)7(5)4-10/h3-4,11-12H,1-2H3 |
InChIKey | InChI | 1.03 | XOAAGSCMGLMPKG-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(O)c(C)c(O)c1C=O |
SMILES | CACTVS | 3.385 | Cc1cc(O)c(C)c(O)c1C=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cc(c(c(c1C=O)O)C)O |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cc(c(c(c1C=O)O)C)O |