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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 (2-pyridylmethyl)malonate

SMILES

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

InChI

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

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 Sat Dec 16 11:55:01 GMT 2023
Edited
by admin
on Sat Dec 16 11:55:01 GMT 2023
Record UNII
RYK7829A3C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Diethyl (2-pyridylmethyl)malonate
Systematic Name English
1,3-Diethyl 2-(pyridin-2-ylmethyl)propanedioate
Systematic Name English
Propanedioic acid, 2-(2-pyridinylmethyl)-, 1,3-diethyl ester
Systematic Name English
1,3-Diethyl 2-(2-pyridinylmethyl)propanedioate
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID00186176
Created by admin on Sat Dec 16 11:55:01 GMT 2023 , Edited by admin on Sat Dec 16 11:55:01 GMT 2023
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FDA UNII
RYK7829A3C
Created by admin on Sat Dec 16 11:55:01 GMT 2023 , Edited by admin on Sat Dec 16 11:55:01 GMT 2023
PRIMARY
ECHA (EC/EINECS)
221-813-9
Created by admin on Sat Dec 16 11:55:01 GMT 2023 , Edited by admin on Sat Dec 16 11:55:01 GMT 2023
PRIMARY
CAS
3243-01-4
Created by admin on Sat Dec 16 11:55:01 GMT 2023 , Edited by admin on Sat Dec 16 11:55:01 GMT 2023
PRIMARY
PUBCHEM
76729
Created by admin on Sat Dec 16 11:55:01 GMT 2023 , Edited by admin on Sat Dec 16 11:55:01 GMT 2023
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