Structure Database (LMSD)

Common Name
9-hydroxy-7E-Nonene-3,5-diynoic acid
Systematic Name
9-hydroxy-7E-Nonene-3,5-diynoic acid
Synonyms
LM ID
LMFA01030721
Formula
Exact Mass
Calculate m/z
164.047345
Sum Composition
Status
Active

Classification

String Representations

InChiKey (Click to copy)
DSMORYZYOBMZIC-GQCTYLIASA-N
InChi (Click to copy)
InChI=1S/C9H8O3/c10-8-6-4-2-1-3-5-7-9(11)12/h4,6,10H,7-8H2,(H,11,12)/b6-4+
SMILES (Click to copy)
C(CC#CC#C/C=C/CO)(=O)O

Other Databases

LIPIDAT ID
4784
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 12
Rings 0
Aromatic Rings 0
Rotatable Bonds 2
Van der Waals Molecular Volume 174.79
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 0.30
Molar Refractivity 44.52

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Created at
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Updated at
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