5-(Isopropyl)-4-methylphthalic acid

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H14O4
Molecular Weight	222.2372
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 5-(Isopropyl)-4-methylphthalic acid

Structure Search

SMILES

CC(C)C1=C(C)C=C(C(O)=O)C(=C1)C(O)=O

InChI

InChIKey=JXJMQLWUVREZGB-UHFFFAOYSA-N

InChI=1S/C12H14O4/c1-6(2)8-5-10(12(15)16)9(11(13)14)4-7(8)3/h4-6H,1-3H3,(H,13,14)(H,15,16)

HIDE SMILES / InChI

Molecular Formula	C12H14O4
Molecular Weight	222.2372
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 12:39:42 GMT 2023` Edited by `admin` on `Sat Dec 16 12:39:42 GMT 2023`
Record UNII	TW8FZP4F9S
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

5-(Isopropyl)-4-methylphthalic acid

Systematic Name

English

4-Methyl-5-(1-methylethyl)-1,2-benzenedicarboxylic acid

Systematic Name

English

1,2-Benzenedicarboxylic acid, 4-methyl-5-(1-methylethyl)-

Systematic Name

English

Code System Code Type Description

FDA UNII

TW8FZP4F9S

Created by admin on Sat Dec 16 12:39:42 GMT 2023 , Edited by admin on Sat Dec 16 12:39:42 GMT 2023

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PUBCHEM

3019603

Created by admin on Sat Dec 16 12:39:42 GMT 2023 , Edited by admin on Sat Dec 16 12:39:42 GMT 2023

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ECHA (EC/EINECS)

281-758-1

Created by admin on Sat Dec 16 12:39:42 GMT 2023 , Edited by admin on Sat Dec 16 12:39:42 GMT 2023

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EPA CompTox

DTXSID30232918

Created by admin on Sat Dec 16 12:39:42 GMT 2023 , Edited by admin on Sat Dec 16 12:39:42 GMT 2023

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CAS

84029-87-8

Created by admin on Sat Dec 16 12:39:42 GMT 2023 , Edited by admin on Sat Dec 16 12:39:42 GMT 2023

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