Structure Database (LMSD)
Common Name
3-Hydroxynonyl acetate
Systematic Name
3-hydroxynonyl acetate
Synonyms
LM ID
LMFA07010753
Formula
Exact Mass
Calculate m/z
202.156895
Sum Composition
Status
Curated
3D model of 3-Hydroxynonyl acetate
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)
RTYFAKSWXDNPPU-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C11H22O3/c1-3-4-5-6-7-11(13)8-9-14-10(2)12/h11,13H,3-9H2,1-2H3
SMILES (Click to copy)
O=C(C)OCCC(CCCCCC)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
14
Rings
0
Aromatic Rings
0
Rotatable Bonds
9
Van der Waals Molecular Volume
222.59
Topological Polar Surface Area
46.53
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
2.84
Molar Refractivity
57.02
Admin
Created at
-
Updated at
6th Jun 2022