3-TERT-BUTYL-4H-INDENO(2,1-D)ISOXAZOL-4-ONE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C14H13NO2
Molecular Weight	227.2585
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-TERT-BUTYL-4H-INDENO(2,1-D)ISOXAZOL-4-ONE

Structure Search

SMILES

CC(C)(C)C1=NOC2=C1C(=O)C3=C2C=CC=C3

InChI

InChIKey=BMDHNHWPNFUMLL-UHFFFAOYSA-N

InChI=1S/C14H13NO2/c1-14(2,3)13-10-11(16)8-6-4-5-7-9(8)12(10)17-15-13/h4-7H,1-3H3

HIDE SMILES / InChI

Molecular Formula	C14H13NO2
Molecular Weight	227.2585
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 20:17:02 GMT 2025` Edited by `admin` on `Tue Apr 01 20:17:02 GMT 2025`
Record UNII	YD4G6D3APG
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-370848

Preferred Name

English

3-TERT-BUTYL-4H-INDENO(2,1-D)ISOXAZOL-4-ONE

Systematic Name

English

3-(1,1-DIMETHYLETHYL)-4H-INDENO(2,1-D)ISOXAZOL-4-ONE

Systematic Name

English

4H-INDENO(2,1-D)ISOXAZOL-4-ONE, 3-(1,1-DIMETHYLETHYL)-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID50231807

Created by admin on Tue Apr 01 20:17:02 GMT 2025 , Edited by admin on Tue Apr 01 20:17:02 GMT 2025

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FDA UNII

YD4G6D3APG

Created by admin on Tue Apr 01 20:17:02 GMT 2025 , Edited by admin on Tue Apr 01 20:17:02 GMT 2025

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NSC

370848

Created by admin on Tue Apr 01 20:17:02 GMT 2025 , Edited by admin on Tue Apr 01 20:17:02 GMT 2025

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PUBCHEM

340346

Created by admin on Tue Apr 01 20:17:02 GMT 2025 , Edited by admin on Tue Apr 01 20:17:02 GMT 2025

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CAS

82501-33-5

Created by admin on Tue Apr 01 20:17:02 GMT 2025 , Edited by admin on Tue Apr 01 20:17:02 GMT 2025

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