Structure Database (LMSD)
Common Name
Perillic acid
Systematic Name
Synonyms
3D model of Perillic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
Level 4 Class
String Representations
InChiKey (Click to copy)
CDSMSBUVCWHORP-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H14O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h5,8H,1,3-4,6H2,2H3,(H,11,12)
SMILES (Click to copy)
C1CC(C(=C)C)CC=C1C(=O)O
References
Calculated Physicochemical Properties
Heavy Atoms
12
Rings
1
Aromatic Rings
0
Rotatable Bonds
2
Van der Waals Molecular Volume
178.86
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
2.37
Molar Refractivity
47.87
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Created at
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Updated at
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