9-OXO-6,7,8,9-TETRAHYDRO-5H-BENZO(A)CYCLOHEPTEN-1-YL ACETATE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H14O3
Molecular Weight	218.2485
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 9-OXO-6,7,8,9-TETRAHYDRO-5H-BENZO(A)CYCLOHEPTEN-1-YL ACETATE

Structure Search

SMILES

CC(=O)OC1=C2C(CCCCC2=O)=CC=C1

InChI

InChIKey=YCYLKMWPCPPMFM-UHFFFAOYSA-N

InChI=1S/C13H14O3/c1-9(14)16-12-8-4-6-10-5-2-3-7-11(15)13(10)12/h4,6,8H,2-3,5,7H2,1H3

HIDE SMILES / InChI

Molecular Formula	C13H14O3
Molecular Weight	218.2485
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 13:13:49 GMT 2023` Edited by `admin` on `Sat Dec 16 13:13:49 GMT 2023`
Record UNII	RM8UZT5WRZ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

9-OXO-6,7,8,9-TETRAHYDRO-5H-BENZO(A)CYCLOHEPTEN-1-YL ACETATE

Systematic Name

English

NSC-680711

Code

English

4-(ACETYLOXY)-6,7,8,9-TETRAHYDRO-5H-BENZOCYCLOHEPTEN-5-ONE

Systematic Name

English

5H-BENZOCYCLOHEPTEN-5-ONE, 4-(ACETYLOXY)-6,7,8,9-TETRAHYDRO-

Systematic Name

English

Code System Code Type Description

NSC

680711

Created by admin on Sat Dec 16 13:13:50 GMT 2023 , Edited by admin on Sat Dec 16 13:13:50 GMT 2023

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FDA UNII

RM8UZT5WRZ

Created by admin on Sat Dec 16 13:13:50 GMT 2023 , Edited by admin on Sat Dec 16 13:13:50 GMT 2023

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PUBCHEM

387175

Created by admin on Sat Dec 16 13:13:50 GMT 2023 , Edited by admin on Sat Dec 16 13:13:50 GMT 2023

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CAS

123958-37-2

Created by admin on Sat Dec 16 13:13:50 GMT 2023 , Edited by admin on Sat Dec 16 13:13:50 GMT 2023

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EPA CompTox

DTXSID50154168

Created by admin on Sat Dec 16 13:13:50 GMT 2023 , Edited by admin on Sat Dec 16 13:13:50 GMT 2023

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