3HL

(3S)-3-HYDROXYBUTANOIC ACID

Created:2007-02-15
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count15
Chiral Atom Count1
Bond Count14
Aromatic Bond Count0
2D diagram of 3HL

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Chemical Component Summary

Name(3S)-3-HYDROXYBUTANOIC ACID
Systematic Name (OpenEye OEToolkits)(3S)-3-hydroxybutanoic acid
FormulaC4 H8 O3
Molecular Weight104.105
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)CC(O)C
SMILESCACTVS3.341C[CH](O)CC(O)=O
SMILESOpenEye OEToolkits1.5.0CC(CC(=O)O)O
Canonical SMILESCACTVS3.341 C[C@H](O)CC(O)=O
Canonical SMILESOpenEye OEToolkits1.5.0 C[C@@H](CC(=O)O)O
InChIInChI1.03 InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m0/s1
InChIKeyInChI1.03 WHBMMWSBFZVSSR-VKHMYHEASA-N

Related Resource References

Resource NameReference
PubChem 94318
ChEMBL CHEMBL1162497
ChEBI CHEBI:17290