Structure Database (LMSD)

Common Name
4-hydroxy pelargonic acid
Systematic Name
4-hydroxy-nonanoic acid
Synonyms
LM ID
LMFA01050026
Formula
Exact Mass
Calculate m/z
174.125595
Sum Composition
Status
Active

Main

Classification

String Representations

InChiKey (Click to copy)
IKOSQCITEZUTOE-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C9H18O3/c1-2-3-4-5-8(10)6-7-9(11)12/h8,10H,2-7H2,1H3,(H,11,12)
SMILES (Click to copy)
C(C(O)CCCCC)CC(=O)O

References

Other Databases

CHEBI ID
LIPIDBANK ID
DFA0292
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 12
Rings 0
Aromatic Rings 0
Rotatable Bonds 7
Van der Waals Molecular Volume 187.99
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 2.08
Molar Refractivity 47.53

Admin

Created at
-
Updated at
-