3-Carboxy-1,4-dimethyl-1H-pyrrole-2-acetic acid

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H11NO4
Molecular Weight	197.1879
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-Carboxy-1,4-dimethyl-1H-pyrrole-2-acetic acid

Structure Search

SMILES

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

InChI

InChIKey=FASPXTNRUAOAGU-UHFFFAOYSA-N

InChI=1S/C9H11NO4/c1-5-4-10(2)6(3-7(11)12)8(5)9(13)14/h4H,3H2,1-2H3,(H,11,12)(H,13,14)

HIDE SMILES / InChI

Molecular Formula	C9H11NO4
Molecular Weight	197.1879
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 `Sat Dec 16 20:23:20 GMT 2023` Edited by `admin` on `Sat Dec 16 20:23:20 GMT 2023`
Record UNII	N6K4X5LP5Y
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-Carboxy-1,4-dimethyl-1H-pyrrole-2-acetic acid

Systematic Name

English

1H-Pyrrole-2-acetic acid, 3-carboxy-1,4-dimethyl-

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

251-476-3

Created by admin on Sat Dec 16 20:23:20 GMT 2023 , Edited by admin on Sat Dec 16 20:23:20 GMT 2023

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PUBCHEM

118465

Created by admin on Sat Dec 16 20:23:20 GMT 2023 , Edited by admin on Sat Dec 16 20:23:20 GMT 2023

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CAS

33369-45-8

Created by admin on Sat Dec 16 20:23:20 GMT 2023 , Edited by admin on Sat Dec 16 20:23:20 GMT 2023

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FDA UNII

N6K4X5LP5Y

Created by admin on Sat Dec 16 20:23:20 GMT 2023 , Edited by admin on Sat Dec 16 20:23:20 GMT 2023

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EPA CompTox

DTXSID70186986

Created by admin on Sat Dec 16 20:23:20 GMT 2023 , Edited by admin on Sat Dec 16 20:23:20 GMT 2023

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