Structure Database (LMSD)

Common Name
6-hydroxy-3-isopropenylheptanoic acid
Systematic Name
6-hydroxy-3-(prop-1-en-2-yl)heptanoic acid
Synonyms
  • 6-hydroxy-3-(1-methylethenyl)heptanoic acid
LM ID
LMFA01050371
Status
Active
Exact Mass
Calculate m/z
186.125595
Formula
Abbrev


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)
NQYDFAGFKCSWGI-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H18O3/c1-7(2)9(6-10(12)13)5-4-8(3)11/h8-9,11H,1,4-6H2,2-3H3,(H,12,13)
SMILES (Click to copy)
C(CCC(C(C)=C)CC(O)=O)(C)O

References

Other Databases

CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 13
Rings 0
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 202.65
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 2.10
Molar Refractivity 51.98

Admin

Created at
-
Updated at
-