4-Methoxyisophthalic acid

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H8O5
Molecular Weight	196.1568
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-Methoxyisophthalic acid

Structure Search

SMILES

COC1=C(C=C(C=C1)C(O)=O)C(O)=O

InChI

InChIKey=JIICYHFLIOGGHE-UHFFFAOYSA-N

InChI=1S/C9H8O5/c1-14-7-3-2-5(8(10)11)4-6(7)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)

HIDE SMILES / InChI

Molecular Formula	C9H8O5
Molecular Weight	196.1568
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 17:46:48 GMT 2025` Edited by `admin` on `Tue Apr 01 17:46:48 GMT 2025`
Record UNII	444QLG5YMS
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-20694

Preferred Name

English

4-Methoxyisophthalic acid

Systematic Name

English

4-Methoxy-1,3-benzenedicarboxylic acid

Systematic Name

English

1,3-Benzenedicarboxylic acid, 4-methoxy-

Systematic Name

English

Code System Code Type Description

CAS

2206-43-1

Created by admin on Tue Apr 01 17:46:48 GMT 2025 , Edited by admin on Tue Apr 01 17:46:48 GMT 2025

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PUBCHEM

75152

Created by admin on Tue Apr 01 17:46:48 GMT 2025 , Edited by admin on Tue Apr 01 17:46:48 GMT 2025

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FDA UNII

444QLG5YMS

Created by admin on Tue Apr 01 17:46:48 GMT 2025 , Edited by admin on Tue Apr 01 17:46:48 GMT 2025

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EPA CompTox

DTXSID70176549

Created by admin on Tue Apr 01 17:46:48 GMT 2025 , Edited by admin on Tue Apr 01 17:46:48 GMT 2025

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NSC

20694

Created by admin on Tue Apr 01 17:46:48 GMT 2025 , Edited by admin on Tue Apr 01 17:46:48 GMT 2025

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ECHA (EC/EINECS)

218-618-6

Created by admin on Tue Apr 01 17:46:48 GMT 2025 , Edited by admin on Tue Apr 01 17:46:48 GMT 2025

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