ACONITIC ACID, (E)-

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C6H6O6
Molecular Weight	174.1082
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of ACONITIC ACID, (E)-

Structure Search

SMILES

OC(=O)C\C(=C/C(O)=O)C(O)=O

InChI

InChIKey=GTZCVFVGUGFEME-HNQUOIGGSA-N

InChI=1S/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)/b3-1+

HIDE SMILES / InChI

Molecular Formula	C6H6O6
Molecular Weight	174.1082
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 17:36:47 UTC 2023` Edited by `admin` on `Fri Dec 15 17:36:47 UTC 2023`
Record UNII	7DB37960CW
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

ACONITIC ACID, (E)-

Common Name

English

TRANS-PROPENE-1,2,3-TRICARBOXYLIC ACID

Common Name

English

TRANS-ACONITIC ACID

Common Name

English

ACONITIC ACID, TRANS-

Common Name

English

FEMA NO. 2010, E-

Code

English

NSC-43980

Code

English

(E)-1-PROPENE-1,2,3-TRICARBOXYLIC ACID

Systematic Name

English

1-PROPENE-1,2,3-TRICARBOXYLIC ACID, (1E)-

Common Name

English

Code System Code Type Description

CAS

4023-65-8

Created by admin on Fri Dec 15 17:36:47 UTC 2023 , Edited by admin on Fri Dec 15 17:36:47 UTC 2023

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EPA CompTox

DTXSID1048706

Created by admin on Fri Dec 15 17:36:47 UTC 2023 , Edited by admin on Fri Dec 15 17:36:47 UTC 2023

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ECHA (EC/EINECS)

223-688-6

Created by admin on Fri Dec 15 17:36:47 UTC 2023 , Edited by admin on Fri Dec 15 17:36:47 UTC 2023

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PUBCHEM

444212

Created by admin on Fri Dec 15 17:36:47 UTC 2023 , Edited by admin on Fri Dec 15 17:36:47 UTC 2023

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NSC

43980

Created by admin on Fri Dec 15 17:36:47 UTC 2023 , Edited by admin on Fri Dec 15 17:36:47 UTC 2023

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CHEBI

32806

Created by admin on Fri Dec 15 17:36:47 UTC 2023 , Edited by admin on Fri Dec 15 17:36:47 UTC 2023

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FDA UNII

7DB37960CW

Created by admin on Fri Dec 15 17:36:47 UTC 2023 , Edited by admin on Fri Dec 15 17:36:47 UTC 2023

PRIMARY