Home Other Building Blocks ethyl 4-cyano-2-methylbutanoate

ethyl 4-cyano-2-methylbutanoate

CAS No.:
10444-16-3
Catalog Number:
AG01BDHZ
Molecular Formula:
C8H13NO2
Molecular Weight:
155.1943
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01BDHZ
Chemical Name:
ethyl 4-cyano-2-methylbutanoate
CAS Number:
10444-16-3
Molecular Formula:
C8H13NO2
Molecular Weight:
155.1943
MDL Number:
MFCD28023751
IUPAC Name:
ethyl 4-cyano-2-methylbutanoate
InChI:
InChI=1S/C8H13NO2/c1-3-11-8(10)7(2)5-4-6-9/h7H,3-5H2,1-2H3
InChI Key:
AHCAWPWXVWWKOH-UHFFFAOYSA-N
SMILES:
CC(C(=O)OCC)CCC#N
Properties
Complexity:
168  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.095g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
155.197g/mol
Monoisotopic Mass:
155.095g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties