Structure Database (LMSD)
Common Name
9-bromo-nonanoic acid
Systematic Name
9-bromo-nonanoic acid
Synonyms
Main
Classification
Category
Main Class
Sub Class
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
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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