5-Cyanoisophthalic acid

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H5NO4
Molecular Weight	191.1403
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 5-Cyanoisophthalic acid

Structure Search

SMILES

OC(=O)C1=CC(=CC(=C1)C#N)C(O)=O

InChI

InChIKey=YKADUTAIRWMMFI-UHFFFAOYSA-N

InChI=1S/C9H5NO4/c10-4-5-1-6(8(11)12)3-7(2-5)9(13)14/h1-3H,(H,11,12)(H,13,14)

HIDE SMILES / InChI

Molecular Formula	C9H5NO4
Molecular Weight	191.1403
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 `Tue Apr 01 17:44:47 GMT 2025` Edited by `admin` on `Tue Apr 01 17:44:47 GMT 2025`
Record UNII	GWF6ER87GX
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

5-Cyanoisophthalic acid

Systematic Name

English

1,3-Benzenedicarboxylic acid, 5-cyano-

Preferred Name

English

5-Cyano-1,3-benzenedicarboxylic acid

Systematic Name

English

Code System Code Type Description

FDA UNII

GWF6ER87GX

Created by admin on Tue Apr 01 17:44:47 GMT 2025 , Edited by admin on Tue Apr 01 17:44:47 GMT 2025

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CAS

23341-13-1

Created by admin on Tue Apr 01 17:44:47 GMT 2025 , Edited by admin on Tue Apr 01 17:44:47 GMT 2025

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PUBCHEM

90070

Created by admin on Tue Apr 01 17:44:47 GMT 2025 , Edited by admin on Tue Apr 01 17:44:47 GMT 2025

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ECHA (EC/EINECS)

245-594-4

Created by admin on Tue Apr 01 17:44:47 GMT 2025 , Edited by admin on Tue Apr 01 17:44:47 GMT 2025

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EPA CompTox

DTXSID5066879

Created by admin on Tue Apr 01 17:44:47 GMT 2025 , Edited by admin on Tue Apr 01 17:44:47 GMT 2025

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