Home Other Building Blocks Cyclohexyl 2-cyanoacetate

Cyclohexyl 2-cyanoacetate

CAS No.:
52688-11-6
Catalog Number:
AG003P51
Molecular Formula:
C9H13NO2
Molecular Weight:
167.2050
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Product Description
Catalog Number:
AG003P51
Chemical Name:
Cyclohexyl 2-cyanoacetate
CAS Number:
52688-11-6
Molecular Formula:
C9H13NO2
Molecular Weight:
167.2050
MDL Number:
MFCD00014293
IUPAC Name:
cyclohexyl 2-cyanoacetate
InChI:
InChI=1S/C9H13NO2/c10-7-6-9(11)12-8-4-2-1-3-5-8/h8H,1-6H2
InChI Key:
YESQLMJPTKPRSK-UHFFFAOYSA-N
SMILES:
N#CCC(=O)OC1CCCCC1
EC Number:
258-104-9
NSC Number:
69952
Properties
Complexity:
198  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.095g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.208g/mol
Monoisotopic Mass:
167.095g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties