Structure Database (LMSD)

Common Name
9-bromo-nonanoic acid
Systematic Name
9-bromo-nonanoic acid
Synonyms
LM ID
LMFA01090026
Status
Active
Exact Mass
Calculate m/z
236.041191
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)
XEGRKZRPTBNSMN-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C9H17BrO2/c10-8-6-4-2-1-3-5-7-9(11)12/h1-8H2,(H,11,12)
SMILES (Click to copy)
C(CCCCCCCCBr)(=O)O

References

Other Databases

LIPIDAT ID
2410
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 12
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 198.48
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 3.48
Molar Refractivity 54.24

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Created at
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Updated at
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