Structure Database (LMSD)
Common Name
5-chloropentanoic acid
Systematic Name
5-chloropentanoic acid
Synonyms
- 5-chloro-n-valeric acid
- 5-chloro-pentanoic acid
- 5-chloro-valeric acid
- 5-chlorovaleric acid
- omega-chloropentanoic acid
- omega-chlorovaleric acid
LM ID
LMFA01090154
Formula
C5H9O2Cl
Exact Mass
Calculate m/z
136.029108
Status
Curated
3D model of 5-chloropentanoic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
YSXDKDWNIPOSMF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C5H9ClO2/c6-4-2-1-3-5(7)8/h1-4H2,(H,7,8)
SMILES (Click to copy)
C(=O)(O)CCCCCl
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
8
Rings
0
Aromatic Rings
0
Rotatable Bonds
4
Van der Waals Molecular Volume
125.21
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
1.76
Molar Refractivity
32.70
Admin
Created at
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Updated at
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