Home Other Building Blocks Ethyl 2-cyano-4,4-dimethoxybutanoate

Ethyl 2-cyano-4,4-dimethoxybutanoate

CAS No.:
773076-83-8
Catalog Number:
AG005O5Y
Molecular Formula:
C9H15NO4
Molecular Weight:
201.2197
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Product Description
Catalog Number:
AG005O5Y
Chemical Name:
Ethyl 2-cyano-4,4-dimethoxybutanoate
CAS Number:
773076-83-8
Molecular Formula:
C9H15NO4
Molecular Weight:
201.2197
MDL Number:
MFCD06211308
IUPAC Name:
ethyl 2-cyano-4,4-dimethoxybutanoate
InChI:
InChI=1S/C9H15NO4/c1-4-14-9(11)7(6-10)5-8(12-2)13-3/h7-8H,4-5H2,1-3H3
InChI Key:
QFVOXVBEBBZZLJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(CC(OC)OC)C#N
Properties
Complexity:
216  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.1g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.222g/mol
Monoisotopic Mass:
201.1g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
68.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties