EcoDrugPlus


Keyword(s):	Plastic additives ; Food Contact Chemicals
Molecule Category	Salt-form
EPA CompTox	DTXSID6028311

Keyword(s):

Plastic additives ; Food Contact Chemicals

Molecule Category

Salt-form

EPA CompTox

DTXSID6028311


InChI Key	HIDKSOTTZRMUML-UHFFFAOYSA-M
Smiles	[K+].CCCCCCCCCCCC(=O)[O-]
InChI	InChI=1/C12H24O2.K/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;/h2-11H2,1H3,(H,13,14);/q;+1/p-1

InChI Key

HIDKSOTTZRMUML-UHFFFAOYSA-M

Smiles

[K+].CCCCCCCCCCCC(=O)[O-]

InChI

InChI=1/C12H24O2.K/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;/h2-11H2,1H3,(H,13,14);/q;+1/p-1

Property Name	Value
Molecular Formula	C12H23KO2
Molecular Weight	238.13
AlogP	-0.34
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	10.0
Polar Surface Area	40.13
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C12H23KO2

Molecular Weight

238.13

AlogP

-0.34

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

10.0

Polar Surface Area

40.13

Heavy Atoms

15.0

Resources	Reference
CAS NUMBER	67701-09-1
NORMAN SUSDAT
PubChem	481182740

Resources

Reference

CAS NUMBER

67701-09-1

NORMAN SUSDAT

PubChem

481182740

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025

FATTY ACIDS, C8-18 AND C18-UNSATD., POTASSIUM SALTS

Structure

Physicochemical Descriptors

Cross References