Structure Database (LMSD)
Common Name
Pentadecanedioic acid
Systematic Name
Pentadecanedioic acid
Synonyms
LM ID
LMFA01170021
Formula
Exact Mass
Calculate m/z
272.19876
Sum Composition
Status
Active
3D model of Pentadecanedioic 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)
BTZVDPWKGXMQFW-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H28O4/c16-14(17)12-10-8-6-4-2-1-3-5-7-9-11-13-15(18)19/h1-13H2,(H,16,17)(H,18,19)
SMILES (Click to copy)
C(CCCCCCCCCCCCCC(=O)O)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
19
Rings
0
Aromatic Rings
0
Rotatable Bonds
14
Van der Waals Molecular Volume
297.94
Topological Polar Surface Area
74.60
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
4.23
Molar Refractivity
75.29
Admin
Created at
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Updated at
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