Structure Database (LMSD)

Common Name
Pinosylvin
Systematic Name
Synonyms
LM ID
LMPK13090001
Status
Active
Exact Mass
Calculate m/z
212.08373
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
YCVPRTHEGLPYPB-VOTSOKGWSA-N
InChi (Click to copy)
InChI=1S/C14H12O2/c15-13-8-12(9-14(16)10-13)7-6-11-4-2-1-3-5-11/h1-10,15-16H/b7-6+
SMILES (Click to copy)
C1=CC=C(/C=C/C2=CC(O)=CC(O)=C2)C=C1

References

Other Databases

Wikipedia
KEGG ID
CHEBI ID
PubChem CID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 2
Aromatic Rings 2
Rotatable Bonds 2
Van der Waals Molecular Volume 203.34
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 3.27
Molar Refractivity 65.14

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Created at
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Updated at
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