Home Other Building Blocks ethyl 2-cyanohex-2-enoate

ethyl 2-cyanohex-2-enoate

CAS No.:
996-95-2
Catalog Number:
AG01A27W
Molecular Formula:
C9H13NO2
Molecular Weight:
167.2050
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Product Description
Catalog Number:
AG01A27W
Chemical Name:
ethyl 2-cyanohex-2-enoate
CAS Number:
996-95-2
Molecular Formula:
C9H13NO2
Molecular Weight:
167.2050
MDL Number:
MFCD00027231
IUPAC Name:
ethyl 2-cyanohex-2-enoate
InChI:
InChI=1S/C9H13NO2/c1-3-5-6-8(7-10)9(11)12-4-2/h6H,3-5H2,1-2H3
InChI Key:
USHSLSUBTWXMQR-UHFFFAOYSA-N
SMILES:
CCCC=C(C(=O)OCC)C#N
Properties
Complexity:
222  
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:
5  
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
2.1  
Properties