Structure Database (LMSD)

Common Name
3S-bromobutanoic acid
Systematic Name
3S-bromobutanoic acid
Synonyms
  • Butanoic acid, 3-bromo-, (S)-
  • (S)-(+)-3-Bromobutanoic acid
  • (S)-(+)-3-Bromobutyric acid
LM ID
LMFA01090028
Status
Active
Exact Mass
Calculate m/z
165.962941
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
HAIUIAZIUDPZIE-VKHMYHEASA-N
InChi (Click to copy)
InChI=1S/C4H7BrO2/c1-3(5)2-4(6)7/h3H,2H2,1H3,(H,6,7)/t3-/m0/s1
SMILES (Click to copy)
C(C[C@@H](Br)C)(=O)O

References

Other Databases

LIPIDAT ID
2371
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 7
Rings 0
Aromatic Rings 0
Rotatable Bonds 2
Van der Waals Molecular Volume 111.98
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 1.53
Molar Refractivity 31.15

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Created at
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Updated at
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