Structure Database (LMSD)
Common Name
Heptadecanedioic acid
Systematic Name
Heptadecanedioic acid
Synonyms
LM ID
LMFA01170028
Formula
Exact Mass
Calculate m/z
300.23006
Sum Composition
Status
Active
3D model of Heptadecanedioic 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)
QCNWZROVPSVEJA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H32O4/c18-16(19)14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17(20)21/h1-15H2,(H,18,19)(H,20,21)
SMILES (Click to copy)
C(CCCCCCCCCCCCCCCC(=O)O)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
0
Aromatic Rings
0
Rotatable Bonds
16
Van der Waals Molecular Volume
332.54
Topological Polar Surface Area
74.60
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
5.01
Molar Refractivity
84.53
Admin
Created at
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Updated at
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