8ZE
Summary
Name: | 2,3-dihydro-1,4-benzodioxin-6-ylmethanol |
Formula: | C9 H10 O3 |
Formal charge: | 0 |
Formula weight: | 166.174 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 2,3-dihydro-1,4-benzodioxin-6-ylmethanol |
OpenEye OEToolkits | 1.7.6 | 2,3-dihydro-1,4-benzodioxin-6-ylmethanol |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O1c2c(OCC1)cc(cc2)CO |
InChI | InChI | 1.03 | InChI=1S/C9H10O3/c10-6-7-1-2-8-9(5-7)12-4-3-11-8/h1-2,5,10H,3-4,6H2 |
InChIKey | InChI | 1.03 | FFLHNBGNAWYMRH-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OCc1ccc2OCCOc2c1 |
SMILES | CACTVS | 3.385 | OCc1ccc2OCCOc2c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc2c(cc1CO)OCCO2 |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cc2c(cc1CO)OCCO2 |