Home Other Building Blocks 1,3-dimethyl 2-(2-cyanoethyl)propanedioate

1,3-dimethyl 2-(2-cyanoethyl)propanedioate

CAS No.:
58763-40-9
Catalog Number:
AG01A4ME
Molecular Formula:
C8H11NO4
Molecular Weight:
185.1772
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Product Description
Catalog Number:
AG01A4ME
Chemical Name:
1,3-dimethyl 2-(2-cyanoethyl)propanedioate
CAS Number:
58763-40-9
Molecular Formula:
C8H11NO4
Molecular Weight:
185.1772
MDL Number:
MFCD03990491
IUPAC Name:
dimethyl 2-(2-cyanoethyl)propanedioate
InChI:
InChI=1S/C8H11NO4/c1-12-7(10)6(4-3-5-9)8(11)13-2/h6H,3-4H2,1-2H3
InChI Key:
VZSJASMCBSMWLT-UHFFFAOYSA-N
SMILES:
COC(=O)C(C(=O)OC)CCC#N
Properties
Complexity:
224  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.069g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.179g/mol
Monoisotopic Mass:
185.069g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
76.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties