5-ISOPROPYL-4-METHYLPHTHALIC ANHYDRIDE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H12O3
Molecular Weight	204.2219
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 5-ISOPROPYL-4-METHYLPHTHALIC ANHYDRIDE

Structure Search

SMILES

CC(C)C1=C(C)C=C2C(=O)OC(=O)C2=C1

InChI

InChIKey=HARMCMJYOSSBBK-UHFFFAOYSA-N

InChI=1S/C12H12O3/c1-6(2)8-5-10-9(4-7(8)3)11(13)15-12(10)14/h4-6H,1-3H3

HIDE SMILES / InChI

Molecular Formula	C12H12O3
Molecular Weight	204.2219
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 19:26:50 GMT 2025` Edited by `admin` on `Tue Apr 01 19:26:50 GMT 2025`
Record UNII	AF4D5X2W28
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

5-ISOPROPYL-4-METHYLPHTHALIC ANHYDRIDE

Systematic Name

English

1,3-ISOBENZOFURANDIONE, 5-METHYL-6-(1-METHYLETHYL)-

Preferred Name

English

4-ISOPROPYL-5-METHYLPHTHALIC ANHYDRIDE

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID70232917

Created by admin on Tue Apr 01 19:26:50 GMT 2025 , Edited by admin on Tue Apr 01 19:26:50 GMT 2025

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CAS

84029-86-7

Created by admin on Tue Apr 01 19:26:50 GMT 2025 , Edited by admin on Tue Apr 01 19:26:50 GMT 2025

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ECHA (EC/EINECS)

281-757-6

Created by admin on Tue Apr 01 19:26:50 GMT 2025 , Edited by admin on Tue Apr 01 19:26:50 GMT 2025

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PUBCHEM

3019602

Created by admin on Tue Apr 01 19:26:50 GMT 2025 , Edited by admin on Tue Apr 01 19:26:50 GMT 2025

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FDA UNII

AF4D5X2W28

Created by admin on Tue Apr 01 19:26:50 GMT 2025 , Edited by admin on Tue Apr 01 19:26:50 GMT 2025

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