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Details

Stereochemistry ACHIRAL
Molecular Formula C6H9NO2
Molecular Weight 127.1412
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl 2-isocyano-2-methylpropanoate

SMILES

COC(=O)C(C)(C)[N+]#[C-]

InChI

InChIKey=SFJWZPGYDWHHIZ-UHFFFAOYSA-N
InChI=1S/C6H9NO2/c1-6(2,7-3)5(8)9-4/h1-2,4H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
Methyl 2-isocyano-2-methylpropanoate
Systematic Name English
Methyl 2-isocyano-2-methylpropionate
Preferred Name English
Propanoic acid, 2-isocyano-2-methyl-, methyl ester
Systematic Name English
Code System Code Type Description
CAS
71015-20-8
Created by admin on Wed Apr 02 20:08:06 GMT 2025 , Edited by admin on Wed Apr 02 20:08:06 GMT 2025
PRIMARY
EPA CompTox
DTXSID00426069
Created by admin on Wed Apr 02 20:08:06 GMT 2025 , Edited by admin on Wed Apr 02 20:08:06 GMT 2025
PRIMARY
FDA UNII
2PXT7KL889
Created by admin on Wed Apr 02 20:08:06 GMT 2025 , Edited by admin on Wed Apr 02 20:08:06 GMT 2025
PRIMARY
PUBCHEM
6918006
Created by admin on Wed Apr 02 20:08:06 GMT 2025 , Edited by admin on Wed Apr 02 20:08:06 GMT 2025
PRIMARY
NIH
NCATS
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