Structure Database (LMSD)

Common Name
7-methyl-nonanoic acid
Systematic Name
7-methyl-nonanoic acid
Synonyms
LM ID
LMFA01020246
Formula
Exact Mass
Calculate m/z
172.14633
Sum Composition
Status
Active

Main

Classification

String Representations

InChiKey (Click to copy)
TUIJQPRMECGEKA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H20O2/c1-3-9(2)7-5-4-6-8-10(11)12/h9H,3-8H2,1-2H3,(H,11,12)
SMILES (Click to copy)
C(CCCCCC(C)CC)(=O)O

References

Other Databases

LIPIDAT ID
1713
CHEBI ID
PubChem CID
PlantFA ID

Calculated Physicochemical Properties

Heavy Atoms 12
Rings 0
Aromatic Rings 0
Rotatable Bonds 7
Van der Waals Molecular Volume 196.50
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 3.07
Molar Refractivity 50.18

Admin

Created at
-
Updated at
-