Home Carboxys methyl 5-cyano-2-methylfuran-3-carboxylate

methyl 5-cyano-2-methylfuran-3-carboxylate

CAS No.:
59760-34-8
Catalog Number:
AG01EJR7
Molecular Formula:
C8H7NO3
Molecular Weight:
165.1461
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Product Description
Catalog Number:
AG01EJR7
Chemical Name:
methyl 5-cyano-2-methylfuran-3-carboxylate
CAS Number:
59760-34-8
Molecular Formula:
C8H7NO3
Molecular Weight:
165.1461
MDL Number:
MFCD31667082
IUPAC Name:
methyl 5-cyano-2-methylfuran-3-carboxylate
InChI:
InChI=1S/C8H7NO3/c1-5-7(8(10)11-2)3-6(4-9)12-5/h3H,1-2H3
InChI Key:
BOGZKGKOHUYATM-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(oc1C)C#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:
165.043g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.148g/mol
Monoisotopic Mass:
165.043g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
63.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties