3HL
Summary
Name: | (3S)-3-HYDROXYBUTANOIC ACID |
Formula: | C4 H8 O3 |
Formal charge: | 0 |
Formula weight: | 104.105 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | (3S)-3-hydroxybutanoic acid |
OpenEye OEToolkits | 1.5.0 | (3S)-3-hydroxybutanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)CC(O)C |
SMILES_CANONICAL | CACTVS | 3.341 | C[C@H](O)CC(O)=O |
SMILES | CACTVS | 3.341 | C[CH](O)CC(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@@H](CC(=O)O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(CC(=O)O)O |
InChI | InChI | 1.03 | InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m0/s1 |
InChIKey | InChI | 1.03 | WHBMMWSBFZVSSR-VKHMYHEASA-N |