Structure Database (LMSD)
Common Name
Myrtenic acid
Systematic Name
Synonyms
3D model of Myrtenic 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
Level 4 Class
String Representations
InChiKey (Click to copy)
XPHVDOXZJRTIMV-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H14O2/c1-10(2)6-3-4-7(9(11)12)8(10)5-6/h4,6,8H,3,5H2,1-2H3,(H,11,12)
SMILES (Click to copy)
C12C(C)(C)C(C1)CC=C2C(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
12
Rings
3
Aromatic Rings
0
Rotatable Bonds
1
Van der Waals Molecular Volume
165.34
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
2.06
Molar Refractivity
45.71
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Created at
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Updated at
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