Methyl 4-isopropylbenzoate

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C11H14O2
Molecular Weight	178.2277
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Methyl 4-isopropylbenzoate

Structure Search

SMILES

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

InChI

InChIKey=IPIVTJSCIHXKOE-UHFFFAOYSA-N

InChI=1S/C11H14O2/c1-8(2)9-4-6-10(7-5-9)11(12)13-3/h4-8H,1-3H3

HIDE SMILES / InChI

Molecular Formula	C11H14O2
Molecular Weight	178.2277
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 `Mon Mar 31 22:44:35 GMT 2025` Edited by `admin` on `Mon Mar 31 22:44:35 GMT 2025`
Record UNII	PU4R42BT2Q
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Methyl 4-isopropylbenzoate

Systematic Name

English

NSC-20013

Preferred Name

English

Benzoic acid, 4-(1-methylethyl)-, methyl ester

Systematic Name

English

Methyl p-isopropylbenzoate

Systematic Name

English

Methyl 4-(1-methylethyl)benzoate

Systematic Name

English

Code System Code Type Description

CAS

20185-55-1

Created by admin on Mon Mar 31 22:44:35 GMT 2025 , Edited by admin on Mon Mar 31 22:44:35 GMT 2025

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NSC

20013

Created by admin on Mon Mar 31 22:44:35 GMT 2025 , Edited by admin on Mon Mar 31 22:44:35 GMT 2025

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EPA CompTox

DTXSID70281066

Created by admin on Mon Mar 31 22:44:35 GMT 2025 , Edited by admin on Mon Mar 31 22:44:35 GMT 2025

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FDA UNII

PU4R42BT2Q

Created by admin on Mon Mar 31 22:44:35 GMT 2025 , Edited by admin on Mon Mar 31 22:44:35 GMT 2025

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PUBCHEM

227855

Created by admin on Mon Mar 31 22:44:35 GMT 2025 , Edited by admin on Mon Mar 31 22:44:35 GMT 2025

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