2,3,3-Trimethyl-3H-indole-5-carboxylic acid

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H13NO2
Molecular Weight	203.2371
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2,3,3-Trimethyl-3H-indole-5-carboxylic acid

Structure Search

SMILES

CC1=NC2=C(C=C(C=C2)C(O)=O)C1(C)C

InChI

InChIKey=QUDAPQXQGBIUAR-UHFFFAOYSA-N

InChI=1S/C12H13NO2/c1-7-12(2,3)9-6-8(11(14)15)4-5-10(9)13-7/h4-6H,1-3H3,(H,14,15)

HIDE SMILES / InChI

Molecular Formula	C12H13NO2
Molecular Weight	203.2371
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 19:15:22 GMT 2025` Edited by `admin` on `Tue Apr 01 19:15:22 GMT 2025`
Record UNII	VUN3VA4S9P
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2,3,3-Trimethyl-3H-indole-5-carboxylic acid

Systematic Name

English

2,3,3-Trimethyl-5-carboxyindolenine

Preferred Name

English

3H-Indole-5-carboxylic acid, 2,3,3-trimethyl-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID50232995

Created by admin on Tue Apr 01 19:15:22 GMT 2025 , Edited by admin on Tue Apr 01 19:15:22 GMT 2025

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ECHA (EC/EINECS)

282-162-4

Created by admin on Tue Apr 01 19:15:22 GMT 2025 , Edited by admin on Tue Apr 01 19:15:22 GMT 2025

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PUBCHEM

3019696

Created by admin on Tue Apr 01 19:15:22 GMT 2025 , Edited by admin on Tue Apr 01 19:15:22 GMT 2025

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FDA UNII

VUN3VA4S9P

Created by admin on Tue Apr 01 19:15:22 GMT 2025 , Edited by admin on Tue Apr 01 19:15:22 GMT 2025

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CAS

84100-84-5

Created by admin on Tue Apr 01 19:15:22 GMT 2025 , Edited by admin on Tue Apr 01 19:15:22 GMT 2025

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