Home Aminos Ethyl 3-amino-2-cyano-3-oxopropanoate

Ethyl 3-amino-2-cyano-3-oxopropanoate

CAS No.:
6825-65-6
Catalog Number:
AG00JATG
Molecular Formula:
C6H8N2O3
Molecular Weight:
156.1393
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Product Description
Catalog Number:
AG00JATG
Chemical Name:
Ethyl 3-amino-2-cyano-3-oxopropanoate
CAS Number:
6825-65-6
Molecular Formula:
C6H8N2O3
Molecular Weight:
156.1393
MDL Number:
MFCD09837448
IUPAC Name:
ethyl 3-amino-2-cyano-3-oxopropanoate
InChI:
InChI=1S/C6H8N2O3/c1-2-11-6(10)4(3-7)5(8)9/h4H,2H2,1H3,(H2,8,9)
InChI Key:
BPBVVBITKHLJQM-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)N)C#N
Properties
Complexity:
215  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.053g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
156.141g/mol
Monoisotopic Mass:
156.053g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
93.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5  
Properties