Home Other Building Blocks Acetic acid, 2-cyano-,hexyl ester

Acetic acid, 2-cyano-,hexyl ester

CAS No.:
13361-53-0
Catalog Number:
AG007N8C
Molecular Formula:
C9H15NO2
Molecular Weight:
169.2209
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Product Description
Catalog Number:
AG007N8C
Chemical Name:
Acetic acid, 2-cyano-,hexyl ester
CAS Number:
13361-53-0
Molecular Formula:
C9H15NO2
Molecular Weight:
169.2209
MDL Number:
MFCD00129129
IUPAC Name:
hexyl 2-cyanoacetate
InChI:
InChI=1S/C9H15NO2/c1-2-3-4-5-8-12-9(11)6-7-10/h2-6,8H2,1H3
InChI Key:
PWKKBTPSCGLYBR-UHFFFAOYSA-N
SMILES:
CCCCCCOC(=O)CC#N
EC Number:
236-426-0
Properties
Complexity:
169  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.11g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.224g/mol
Monoisotopic Mass:
169.11g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties