Home Carboxys 5-cyanofuran-3-carboxylic acid

5-cyanofuran-3-carboxylic acid

CAS No.:
1866690-04-1
Catalog Number:
AG01BTIE
Molecular Formula:
C6H3NO3
Molecular Weight:
137.0929
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Product Description
Catalog Number:
AG01BTIE
Chemical Name:
5-cyanofuran-3-carboxylic acid
CAS Number:
1866690-04-1
Molecular Formula:
C6H3NO3
Molecular Weight:
137.0929
MDL Number:
MFCD30539832
IUPAC Name:
5-cyanofuran-3-carboxylic acid
InChI:
InChI=1S/C6H3NO3/c7-2-5-1-4(3-10-5)6(8)9/h1,3H,(H,8,9)
InChI Key:
RKXFYNYMNNRANV-UHFFFAOYSA-N
SMILES:
N#Cc1occ(c1)C(=O)O
Properties
Complexity:
192  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.011g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
137.094g/mol
Monoisotopic Mass:
137.011g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
74.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties