3-Carboxy-1-methyl-1H-pyrrole-2-acetic acid

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H9NO4
Molecular Weight	183.1614
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-Carboxy-1-methyl-1H-pyrrole-2-acetic acid

Structure Search

SMILES

CN1C=CC(C(O)=O)=C1CC(O)=O

InChI

InChIKey=HCEANTQTOYOMSH-UHFFFAOYSA-N

InChI=1S/C8H9NO4/c1-9-3-2-5(8(12)13)6(9)4-7(10)11/h2-3H,4H2,1H3,(H,10,11)(H,12,13)

HIDE SMILES / InChI

Molecular Formula	C8H9NO4
Molecular Weight	183.1614
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 20:37:53 GMT 2025` Edited by `admin` on `Tue Apr 01 20:37:53 GMT 2025`
Record UNII	54H7S98VJK
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1H-Pyrrole-2-acetic acid, 3-carboxy-1-methyl-

Preferred Name

English

3-Carboxy-1-methyl-1H-pyrrole-2-acetic acid

Systematic Name

English

Code System Code Type Description

FDA UNII

54H7S98VJK

Created by admin on Tue Apr 01 20:37:53 GMT 2025 , Edited by admin on Tue Apr 01 20:37:53 GMT 2025

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CAS

83863-74-5

Created by admin on Tue Apr 01 20:37:53 GMT 2025 , Edited by admin on Tue Apr 01 20:37:53 GMT 2025

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PUBCHEM

3019432

Created by admin on Tue Apr 01 20:37:53 GMT 2025 , Edited by admin on Tue Apr 01 20:37:53 GMT 2025

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EPA CompTox

DTXSID00232763

Created by admin on Tue Apr 01 20:37:53 GMT 2025 , Edited by admin on Tue Apr 01 20:37:53 GMT 2025

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ECHA (EC/EINECS)

281-140-1

Created by admin on Tue Apr 01 20:37:53 GMT 2025 , Edited by admin on Tue Apr 01 20:37:53 GMT 2025

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