3-Methylphthalide

Details

Stereochemistry	RACEMIC
Molecular Formula	C9H8O2
Molecular Weight	148.1586
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1OC(=O)C2=CC=CC=C12

InChI

InChIKey=XJVDIMLQFRPIMP-UHFFFAOYSA-N

InChI=1S/C9H8O2/c1-6-7-4-2-3-5-8(7)9(10)11-6/h2-6H,1H3

HIDE SMILES / InChI

Molecular Formula	C9H8O2
Molecular Weight	148.1586
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 17:10:08 GMT 2025` Edited by `admin` on `Wed Apr 02 17:10:08 GMT 2025`
Record UNII	QH8R6PYE6J
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-Methylphthalide

Systematic Name

English

1(3H)-Isobenzofuranone, 3-methyl

Preferred Name

English

3-Methyl-1,3-dihydro-2-benzofuran-1-one

Systematic Name

English

3-Methyl-1(3H)-isobenzofuranone

Systematic Name

English

Phthalide, 3-methyl

Systematic Name

English

3-Methyl-2-benzofuran-1(3H)-one

Systematic Name

English

Benzoic acid, 2-(1-hydroxyethyl)-, ?-lactone

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID10875862

Created by admin on Wed Apr 02 17:10:08 GMT 2025 , Edited by admin on Wed Apr 02 17:10:08 GMT 2025

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PUBCHEM

18939

Created by admin on Wed Apr 02 17:10:08 GMT 2025 , Edited by admin on Wed Apr 02 17:10:08 GMT 2025

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CAS

3453-64-3

Created by admin on Wed Apr 02 17:10:08 GMT 2025 , Edited by admin on Wed Apr 02 17:10:08 GMT 2025

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FDA UNII

QH8R6PYE6J

Created by admin on Wed Apr 02 17:10:08 GMT 2025 , Edited by admin on Wed Apr 02 17:10:08 GMT 2025

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