Mono-tert-butyl malonate

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H12O4
Molecular Weight	160.1678
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Mono-tert-butyl malonate

Structure Search

SMILES

CC(C)(C)OC(=O)CC(O)=O

InChI

InChIKey=NGGGZUAEOKRHMA-UHFFFAOYSA-N

InChI=1S/C7H12O4/c1-7(2,3)11-6(10)4-5(8)9/h4H2,1-3H3,(H,8,9)

HIDE SMILES / InChI

Approval Year

Name

Type

Language

Malonic acid mono-tert-butyl ester

Preferred Name

English

Mono-tert-butyl malonate

Common Name

English

3-tert-Butoxy-3-oxopropanoic acid

Systematic Name

English

3-[(2-Methylpropan-2-yl)oxy]-3-oxopropanoic acid

Systematic Name

English

2-(tert-Butoxycarbonyl)acetic acid

Systematic Name

English

Propanedioic acid, mono(1,1-dimethylethyl) ester

Systematic Name

English

tert-Butyl hydrogen malonate

Common Name

English

Malonic acid tert-butyl monoester

Common Name

English

Propanedioic acid, 1-(1,1-dimethylethyl) ester

Systematic Name

English

3-tert-Butoxy-3-oxopropionic acid

Systematic Name

English

Code System Code Type Description

CAS

40052-13-9

Created by admin on Wed Apr 02 19:43:56 GMT 2025 , Edited by admin on Wed Apr 02 19:43:56 GMT 2025

PRIMARY

EPA CompTox

DTXSID10338003

Created by admin on Wed Apr 02 19:43:56 GMT 2025 , Edited by admin on Wed Apr 02 19:43:56 GMT 2025

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PUBCHEM

545853

Created by admin on Wed Apr 02 19:43:56 GMT 2025 , Edited by admin on Wed Apr 02 19:43:56 GMT 2025

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CAS

50990-09-5

Created by admin on Wed Apr 02 19:43:56 GMT 2025 , Edited by admin on Wed Apr 02 19:43:56 GMT 2025

SUPERSEDED

FDA UNII

HT64N8NUD9

Created by admin on Wed Apr 02 19:43:56 GMT 2025 , Edited by admin on Wed Apr 02 19:43:56 GMT 2025

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SUBSTANCE RECORD


					HT64N8NUD9

Mono-tert-butyl malonate