3-Methoxyphthalide

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H8O3
Molecular Weight	164.158
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-Methoxyphthalide

Structure Search

SMILES

COC1OC(=O)C2=C1C=CC=C2

InChI

InChIKey=OIIJJGAFRGJQSQ-UHFFFAOYSA-N

InChI=1S/C9H8O3/c1-11-9-7-5-3-2-4-6(7)8(10)12-9/h2-5,9H,1H3

HIDE SMILES / InChI

Molecular Formula	C9H8O3
Molecular Weight	164.158
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 `Tue Apr 01 19:30:10 GMT 2025` Edited by `admin` on `Tue Apr 01 19:30:10 GMT 2025`
Record UNII	X2G3K5W48F
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-Methoxyphthalide

Systematic Name

English

NSC-408564

Preferred Name

English

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

Systematic Name

English

1(3H)-Isobenzofuranone, 3-methoxy-

Systematic Name

English

3-Methoxy-1(3H)-isobenzofuranone

Systematic Name

English

Code System Code Type Description

FDA UNII

X2G3K5W48F

Created by admin on Tue Apr 01 19:30:10 GMT 2025 , Edited by admin on Tue Apr 01 19:30:10 GMT 2025

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PUBCHEM

349017

Created by admin on Tue Apr 01 19:30:10 GMT 2025 , Edited by admin on Tue Apr 01 19:30:10 GMT 2025

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EPA CompTox

DTXSID70875863

Created by admin on Tue Apr 01 19:30:10 GMT 2025 , Edited by admin on Tue Apr 01 19:30:10 GMT 2025

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NSC

408564

Created by admin on Tue Apr 01 19:30:10 GMT 2025 , Edited by admin on Tue Apr 01 19:30:10 GMT 2025

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CAS

4122-57-0

Created by admin on Tue Apr 01 19:30:10 GMT 2025 , Edited by admin on Tue Apr 01 19:30:10 GMT 2025

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