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Details

Stereochemistry ACHIRAL
Molecular Formula C4H5NO2
Molecular Weight 99.088
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl cyanoacetate

SMILES

COC(=O)CC#N

InChI

InChIKey=ANGDWNBGPBMQHW-UHFFFAOYSA-N
InChI=1S/C4H5NO2/c1-7-4(6)2-3-5/h2H2,1H3

HIDE SMILES / InChI

Molecular Formula C4H5NO2
Molecular Weight 99.088
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Superacid-catalyzed intramolecular cyclization reaction of arylcyanopropionate: geminal substitution effect on superelectrophilicity.
2008-06-06
Thiourea-catalyzed asymmetric michael addition of activated methylene compounds to alpha,beta-unsaturated imides: dual activation of imide by intra- and intermolecular hydrogen bonding.
2006-07-26
Guanosine analog in the pyrido[2,3-d]pyrimidine ring system as a potential toll-like receptor agonist.
2006
Synthesis of 1,1-disubstituted-2,6-diarylcyclohexane-4-ones catalyzed by KF/basic Al2O3 under ultrasound.
2005-08
Catalytic asymmetric total syntheses of quinine and quinidine.
2004-01-28
Patents
Substance Class Chemical
Created
by admin
on Mon Mar 31 21:03:48 GMT 2025
Edited
by admin
on Mon Mar 31 21:03:48 GMT 2025
Record UNII
A28RI36V30
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
J4.029K
Preferred Name English
Methyl cyanoacetate
Systematic Name English
NSC-3113
Code English
NSC-68507
Code English
CYANOACETIC ACID METHYL ESTER
Systematic Name English
ACETIC ACID, 2-CYANO-, METHYL ESTER
Systematic Name English
ACETIC ACID, CYANO-, METHYL ESTER
Systematic Name English
METHYL .ALPHA.-CYANOACETATE
Systematic Name English
USAF KF-22
Common Name English
3-METHOXY-3-OXOPROPANENITRILE
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
203-288-8
Created by admin on Mon Mar 31 21:03:48 GMT 2025 , Edited by admin on Mon Mar 31 21:03:48 GMT 2025
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FDA UNII
A28RI36V30
Created by admin on Mon Mar 31 21:03:48 GMT 2025 , Edited by admin on Mon Mar 31 21:03:48 GMT 2025
PRIMARY
NSC
68507
Created by admin on Mon Mar 31 21:03:48 GMT 2025 , Edited by admin on Mon Mar 31 21:03:48 GMT 2025
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CAS
105-34-0
Created by admin on Mon Mar 31 21:03:48 GMT 2025 , Edited by admin on Mon Mar 31 21:03:48 GMT 2025
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CHEBI
51928
Created by admin on Mon Mar 31 21:03:48 GMT 2025 , Edited by admin on Mon Mar 31 21:03:48 GMT 2025
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NSC
3113
Created by admin on Mon Mar 31 21:03:48 GMT 2025 , Edited by admin on Mon Mar 31 21:03:48 GMT 2025
PRIMARY
EPA CompTox
DTXSID8033649
Created by admin on Mon Mar 31 21:03:48 GMT 2025 , Edited by admin on Mon Mar 31 21:03:48 GMT 2025
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PUBCHEM
7747
Created by admin on Mon Mar 31 21:03:48 GMT 2025 , Edited by admin on Mon Mar 31 21:03:48 GMT 2025
PRIMARY