Home Other Building Blocks ethyl 3-cyano-3-methyl-2-oxopropanoate

ethyl 3-cyano-3-methyl-2-oxopropanoate

CAS No.:
524729-53-1
Catalog Number:
AG01C7NT
Molecular Formula:
C7H9NO3
Molecular Weight:
155.1513
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Product Description
Catalog Number:
AG01C7NT
Chemical Name:
ethyl 3-cyano-3-methyl-2-oxopropanoate
CAS Number:
524729-53-1
Molecular Formula:
C7H9NO3
Molecular Weight:
155.1513
MDL Number:
MFCD24690027
IUPAC Name:
ethyl 3-cyano-2-oxobutanoate
InChI:
InChI=1S/C7H9NO3/c1-3-11-7(10)6(9)5(2)4-8/h5H,3H2,1-2H3
InChI Key:
DOHIIYWAVNJMJZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=O)C(C#N)C
Properties
Complexity:
213  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.058g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
155.153g/mol
Monoisotopic Mass:
155.058g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties