CNR
Summary
Name: | (2S)-2-CHLOROPROPANOIC ACID |
Synonyms: | 2-MONOCHLOROPRAPANATE |
Formula: | C3 H5 Cl O2 |
Formal charge: | 0 |
Formula weight: | 108.524 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | (2S)-2-chloropropanoic acid |
OpenEye OEToolkits | 1.5.0 | (2S)-2-chloropropanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | ClC(C(=O)O)C |
SMILES_CANONICAL | CACTVS | 3.341 | C[C@H](Cl)C(O)=O |
SMILES | CACTVS | 3.341 | C[CH](Cl)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@@H](C(=O)O)Cl |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(C(=O)O)Cl |
InChI | InChI | 1.03 | InChI=1S/C3H5ClO2/c1-2(4)3(5)6/h2H,1H3,(H,5,6)/t2-/m0/s1 |
InChIKey | InChI | 1.03 | GAWAYYRQGQZKCR-REOHCLBHSA-N |