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1369496-50-3 | 2-Furancarboxylic acid, 4-cyano-
CAS No: 1369496-50-3 Catalog No: AG0012KR MDL No:MFCD19689136
Product Description
Catalog Number:
AG0012KR
Chemical Name:
2-Furancarboxylic acid, 4-cyano-
CAS Number:
1369496-50-3
Molecular Formula:
C6H3NO3
Molecular Weight:
137.0929
MDL Number:
MFCD19689136
IUPAC Name:
4-cyanofuran-2-carboxylic acid
InChI:
InChI=1S/C6H3NO3/c7-2-4-1-5(6(8)9)10-3-4/h1,3H,(H,8,9)
InChI Key:
YRLAJNQYJPKTAK-UHFFFAOYSA-N
SMILES:
N#Cc1coc(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
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