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7505-93-3

7505-93-3 | 2-Cyano-2-methylpropanamide

CAS No: 7505-93-3 Catalog No: AG0057AG MDL No:MFCD16105926

Product Description

Catalog Number:
AG0057AG
Chemical Name:
2-Cyano-2-methylpropanamide
CAS Number:
7505-93-3
Molecular Formula:
C5H8N2O
Molecular Weight:
112.1298
MDL Number:
MFCD16105926
IUPAC Name:
2-cyano-2-methylpropanamide
InChI:
InChI=1S/C5H8N2O/c1-5(2,3-6)4(7)8/h1-2H3,(H2,7,8)
InChI Key:
IQCHZCYHDCDSFI-UHFFFAOYSA-N
SMILES:
N#CC(C(=O)N)(C)C
NSC Number:
402032

Properties

Complexity:
151  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.064g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
112.132g/mol
Monoisotopic Mass:
112.064g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
66.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0

Literature

Title Journal
2-Cyano-2-methyl-propanamide. Acta crystallographica. Section E, Structure reports online 20120401

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