Home Carboxys ethyl 3-cyanooxane-3-carboxylate

ethyl 3-cyanooxane-3-carboxylate

CAS No.:
2060031-63-0
Catalog Number:
AG01BVT4
Molecular Formula:
C9H13NO3
Molecular Weight:
183.2044
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Product Description
Catalog Number:
AG01BVT4
Chemical Name:
ethyl 3-cyanooxane-3-carboxylate
CAS Number:
2060031-63-0
Molecular Formula:
C9H13NO3
Molecular Weight:
183.2044
MDL Number:
MFCD30497660
IUPAC Name:
ethyl 3-cyanooxane-3-carboxylate
InChI:
InChI=1S/C9H13NO3/c1-2-13-8(11)9(6-10)4-3-5-12-7-9/h2-5,7H2,1H3
InChI Key:
SSEJMZLSHXFKTH-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1(C#N)CCCOC1
Properties
Complexity:
243  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.09g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.207g/mol
Monoisotopic Mass:
183.09g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties