3,4-DIMETHYLPSORALEN

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H10O3
Molecular Weight	214.2167
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3,4-DIMETHYLPSORALEN

Structure Search

SMILES

CC1=C(C)C2=CC3=C(OC=C3)C=C2OC1=O

InChI

InChIKey=SWVLWPCPLVHMHY-UHFFFAOYSA-N

InChI=1S/C13H10O3/c1-7-8(2)13(14)16-12-6-11-9(3-4-15-11)5-10(7)12/h3-6H,1-2H3

HIDE SMILES / InChI

Molecular Formula	C13H10O3
Molecular Weight	214.2167
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 12:38:38 GMT 2023` Edited by `admin` on `Sat Dec 16 12:38:38 GMT 2023`
Record UNII	ZL781E2C91
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

3,4-DIMETHYLPSORALEN

Systematic Name

English

7H-FURO(3,2-G)(1)BENZOPYRAN-7-ONE, 5,6-DIMETHYL-

Systematic Name

English

5-BENZOFURANACRYLIC ACID, 6-HYDROXY-.ALPHA.,.BETA.-DIMETHYL-, .DELTA.-LACTONE

Systematic Name

English

5,6-DIMETHYL-7H-FURO(3,2-G)(1)BENZOPYRAN-7-ONE

Systematic Name

English

NSC-401306

Code

English

Code System Code Type Description

NSC

401306

Created by admin on Sat Dec 16 12:38:38 GMT 2023 , Edited by admin on Sat Dec 16 12:38:38 GMT 2023

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FDA UNII

ZL781E2C91

Created by admin on Sat Dec 16 12:38:38 GMT 2023 , Edited by admin on Sat Dec 16 12:38:38 GMT 2023

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CAS

7469-12-7

Created by admin on Sat Dec 16 12:38:38 GMT 2023 , Edited by admin on Sat Dec 16 12:38:38 GMT 2023

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PUBCHEM

101223

Created by admin on Sat Dec 16 12:38:38 GMT 2023 , Edited by admin on Sat Dec 16 12:38:38 GMT 2023

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EPA CompTox

DTXSID30225663

Created by admin on Sat Dec 16 12:38:38 GMT 2023 , Edited by admin on Sat Dec 16 12:38:38 GMT 2023

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