5-Cyanophthalide

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H5NO2
Molecular Weight	159.1415
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 5-Cyanophthalide

Structure Search

SMILES

O=C1OCC2=C1C=CC(=C2)C#N

InChI

InChIKey=XEEGWTLAFIZLSF-UHFFFAOYSA-N

InChI=1S/C9H5NO2/c10-4-6-1-2-8-7(3-6)5-12-9(8)11/h1-3H,5H2

HIDE SMILES / InChI

Molecular Formula	C9H5NO2
Molecular Weight	159.1415
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 `Tue Apr 01 16:22:13 GMT 2025` Edited by `admin` on `Tue Apr 01 16:22:13 GMT 2025`
Record UNII	B8XZJ4L2MB
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

5-Cyanophthalide

Systematic Name

English

1,3-Dihydro-1-oxoisobenzofuran-5-carbonitrile

Preferred Name

English

1,3-Dihydro-1-oxo-5-isobenzofurancarbonitrile

Systematic Name

English

5-Isobenzofurancarbonitrile, 1,3-dihydro-1-oxo-

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

279-900-2

Created by admin on Tue Apr 01 16:22:13 GMT 2025 , Edited by admin on Tue Apr 01 16:22:13 GMT 2025

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FDA UNII

B8XZJ4L2MB

Created by admin on Tue Apr 01 16:22:13 GMT 2025 , Edited by admin on Tue Apr 01 16:22:13 GMT 2025

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EPA CompTox

DTXSID40868641

Created by admin on Tue Apr 01 16:22:13 GMT 2025 , Edited by admin on Tue Apr 01 16:22:13 GMT 2025

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PUBCHEM

821218

Created by admin on Tue Apr 01 16:22:13 GMT 2025 , Edited by admin on Tue Apr 01 16:22:13 GMT 2025

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CAS

82104-74-3

Created by admin on Tue Apr 01 16:22:13 GMT 2025 , Edited by admin on Tue Apr 01 16:22:13 GMT 2025

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