Home Other Building Blocks ethyl 2-cyano-2-(1-methylcyclohexyl)acetate

ethyl 2-cyano-2-(1-methylcyclohexyl)acetate

CAS No.:
57093-55-7
Catalog Number:
AG01A2D9
Molecular Formula:
C12H19NO2
Molecular Weight:
209.2848
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Product Description
Catalog Number:
AG01A2D9
Chemical Name:
ethyl 2-cyano-2-(1-methylcyclohexyl)acetate
CAS Number:
57093-55-7
Molecular Formula:
C12H19NO2
Molecular Weight:
209.2848
MDL Number:
MFCD19302334
IUPAC Name:
ethyl 2-cyano-2-(1-methylcyclohexyl)acetate
InChI:
InChI=1S/C12H19NO2/c1-3-15-11(14)10(9-13)12(2)7-5-4-6-8-12/h10H,3-8H2,1-2H3
InChI Key:
ROHCCJIABRKISQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C1(C)CCCCC1)C#N
Properties
Complexity:
271  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.142g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.289g/mol
Monoisotopic Mass:
209.142g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties