Isotridecanoic acid

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H26O2
Molecular Weight	214.3443
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Isotridecanoic acid

Structure Search

SMILES

CC(C)CCCCCCCCCC(O)=O

InChI

InChIKey=SIOLDWZBFABPJU-UHFFFAOYSA-N

InChI=1S/C13H26O2/c1-12(2)10-8-6-4-3-5-7-9-11-13(14)15/h12H,3-11H2,1-2H3,(H,14,15)

HIDE SMILES / InChI

Molecular Formula	C13H26O2
Molecular Weight	214.3443
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 19:21:53 GMT 2025` Edited by `admin` on `Wed Apr 02 19:21:53 GMT 2025`
Record UNII	5YSZ6ZYK4L
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Isotridecanoic acid

Preferred Name

English

Code System Code Type Description

PUBCHEM

33002

Created by admin on Wed Apr 02 19:21:53 GMT 2025 , Edited by admin on Wed Apr 02 19:21:53 GMT 2025

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EPA CompTox

DTXSID1067099

Created by admin on Wed Apr 02 19:21:53 GMT 2025 , Edited by admin on Wed Apr 02 19:21:53 GMT 2025

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ECHA (EC/EINECS)

246-997-8

Created by admin on Wed Apr 02 19:21:53 GMT 2025 , Edited by admin on Wed Apr 02 19:21:53 GMT 2025

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FDA UNII

5YSZ6ZYK4L

Created by admin on Wed Apr 02 19:21:53 GMT 2025 , Edited by admin on Wed Apr 02 19:21:53 GMT 2025

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CAS

25448-24-2

Created by admin on Wed Apr 02 19:21:53 GMT 2025 , Edited by admin on Wed Apr 02 19:21:53 GMT 2025

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