Structure database (LMSD)

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LM IDLMFA01050019
Common Nameω-hydroxy enanthoic acid
Systematic Name7-hydroxy-heptanoic acid
Synonyms-
Exact Mass
146.0943 (neutral)    Calculate m/z:
FormulaC7H14O3
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassHydroxy fatty acids [FA0105]
LIPIDBANK IDDFA0285
PubChem CID138016
InChIKeyPNAJBOZYCFSQDJ-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C7H14O3/c8-6-4-2-1-3-5-7(9)10/h8H,1-6H2,(H,9,10)
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SMILES
C(CCCCO)CC(=O)O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms10Rings0Aromatic Rings0Rotatable Bonds6
 van der Waals
Molecular Volume
153.39Topological Polar
Surface Area
57.53Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
3
 logP1.30Molar
Refractivity
38.30