1,3,5,TRIACETYLBENZENE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H12O3
Molecular Weight	204.2219
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1,3,5,TRIACETYLBENZENE

Structure Search

SMILES

CC(=O)C1=CC(=CC(=C1)C(C)=O)C(C)=O

InChI

InChIKey=HSOAIPRTHLEQFI-UHFFFAOYSA-N

InChI=1S/C12H12O3/c1-7(13)10-4-11(8(2)14)6-12(5-10)9(3)15/h4-6H,1-3H3

HIDE SMILES / InChI

Molecular Formula	C12H12O3
Molecular Weight	204.2219
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 `Mon Mar 31 19:13:47 GMT 2025` Edited by `admin` on `Mon Mar 31 19:13:47 GMT 2025`
Record UNII	9K53727S7G
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-61943

Preferred Name

English

1,3,5,TRIACETYLBENZENE

Common Name

English

Code System Code Type Description

FDA UNII

9K53727S7G

Created by admin on Mon Mar 31 19:13:47 GMT 2025 , Edited by admin on Mon Mar 31 19:13:47 GMT 2025

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NSC

61943

Created by admin on Mon Mar 31 19:13:47 GMT 2025 , Edited by admin on Mon Mar 31 19:13:47 GMT 2025

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CAS

779-90-8

Created by admin on Mon Mar 31 19:13:47 GMT 2025 , Edited by admin on Mon Mar 31 19:13:47 GMT 2025

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EPA CompTox

DTXSID50228530

Created by admin on Mon Mar 31 19:13:47 GMT 2025 , Edited by admin on Mon Mar 31 19:13:47 GMT 2025

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ECHA (EC/EINECS)

212-302-1

Created by admin on Mon Mar 31 19:13:47 GMT 2025 , Edited by admin on Mon Mar 31 19:13:47 GMT 2025

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PUBCHEM

69904

Created by admin on Mon Mar 31 19:13:47 GMT 2025 , Edited by admin on Mon Mar 31 19:13:47 GMT 2025

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