Structure database (LMSD)

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LM IDLMFA01030595
Common Name7-tridecenoic acid
Systematic Name7-tridecenoic acid
Synonyms7-Tridecenoic acid; C13:1n-6
Exact Mass
212.1776 (neutral)    Calculate m/z:
FormulaC13H24O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
AbbrevFA 13:1
LIPIDAT ID6656
PubChem CID5312716
InChIKeyZFFAZMVPWOZYHQ-VOTSOKGWSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C13H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h6-7H,2-5,8-12H2,1H3,(H,14,15)/b7-6+
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SMILES
C(CCCCC/C=C/CCCCC)(=O)O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms15Rings0Aromatic Rings0Rotatable Bonds10
 van der Waals
Molecular Volume
245.76Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP4.16Molar
Refractivity
64.00