Structure Database (LMSD)
Common Name
3-methyl-tridecanedioic acid
Systematic Name
3-methyl-tridecanedioic acid
Synonyms
LM ID
LMFA01170016
Status
Active
Exact Mass
Calculate m/z
258.18311
Formula
Abbrev
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
XGGBLUZXXAOZCR-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C14H26O4/c1-12(11-14(17)18)9-7-5-3-2-4-6-8-10-13(15)16/h12H,2-11H2,1H3,(H,15,16)(H,17,18)
SMILES (Click to copy)
C(CC(C)CCCCCCCCCC(=O)O)(=O)O
References
Calculated Physicochemical Properties
Heavy Atoms
18
Rings
0
Aromatic Rings
0
Rotatable Bonds
12
Van der Waals Molecular Volume
280.64
Topological Polar Surface Area
74.60
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
3.69
Molar Refractivity
70.61
Admin
Created at
-
Updated at
-