Home Carboxys Ethyl 5-(cyanoMethyl)furan-2-carboxylate

Ethyl 5-(cyanoMethyl)furan-2-carboxylate

CAS No.:
51129-66-9
Catalog Number:
AG00DLDN
Molecular Formula:
C9H9NO3
Molecular Weight:
179.1727
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Product Description
Catalog Number:
AG00DLDN
Chemical Name:
Ethyl 5-(cyanoMethyl)furan-2-carboxylate
CAS Number:
51129-66-9
Molecular Formula:
C9H9NO3
Molecular Weight:
179.1727
MDL Number:
MFCD12403566
IUPAC Name:
ethyl 5-(cyanomethyl)furan-2-carboxylate
InChI:
InChI=1S/C9H9NO3/c1-2-12-9(11)8-4-3-7(13-8)5-6-10/h3-4H,2,5H2,1H3
InChI Key:
UWWMGPPIOJFSMF-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(o1)CC#N
Properties
Complexity:
230  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.058g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.175g/mol
Monoisotopic Mass:
179.058g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
63.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties