DIETHYL (3-PYRIDYLMETHYL)MALONATE

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Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H17NO4
Molecular Weight	251.2784
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of DIETHYL (3-PYRIDYLMETHYL)MALONATE

Structure Search

SMILES

CCOC(=O)C(CC1=CN=CC=C1)C(=O)OCC

InChI

InChIKey=GBCNXGKAGMMHMV-UHFFFAOYSA-N

InChI=1S/C13H17NO4/c1-3-17-12(15)11(13(16)18-4-2)8-10-6-5-7-14-9-10/h5-7,9,11H,3-4,8H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C13H17NO4
Molecular Weight	251.2784
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 19:25:47 GMT 2025` Edited by `admin` on `Tue Apr 01 19:25:47 GMT 2025`
Record UNII	JY9CJH2WQQ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1,3-DIETHYL 2-(PYRIDIN-3-YLMETHYL)PROPANEDIOATE

Preferred Name

English

DIETHYL (3-PYRIDYLMETHYL)MALONATE

Systematic Name

English

PROPANEDIOIC ACID, 2-(3-PYRIDINYLMETHYL)-, 1,3-DIETHYL ESTER

Systematic Name

English

Code System Code Type Description

FDA UNII

JY9CJH2WQQ

Created by admin on Tue Apr 01 19:25:47 GMT 2025 , Edited by admin on Tue Apr 01 19:25:47 GMT 2025

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CAS

57477-12-0

Created by admin on Tue Apr 01 19:25:47 GMT 2025 , Edited by admin on Tue Apr 01 19:25:47 GMT 2025

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EPA CompTox

DTXSID80206088

Created by admin on Tue Apr 01 19:25:47 GMT 2025 , Edited by admin on Tue Apr 01 19:25:47 GMT 2025

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ECHA (EC/EINECS)

260-758-5

Created by admin on Tue Apr 01 19:25:47 GMT 2025 , Edited by admin on Tue Apr 01 19:25:47 GMT 2025

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PUBCHEM

93679

Created by admin on Tue Apr 01 19:25:47 GMT 2025 , Edited by admin on Tue Apr 01 19:25:47 GMT 2025

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