Home Carboxys 5-carbamoylfuran-2-carboxylic acid

5-carbamoylfuran-2-carboxylic acid

CAS No.:
54022-78-5
Catalog Number:
AG01A1ML
Molecular Formula:
C6H5NO4
Molecular Weight:
155.1082
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Product Description
Catalog Number:
AG01A1ML
Chemical Name:
5-carbamoylfuran-2-carboxylic acid
CAS Number:
54022-78-5
Molecular Formula:
C6H5NO4
Molecular Weight:
155.1082
MDL Number:
MFCD15143947
IUPAC Name:
5-carbamoylfuran-2-carboxylic acid
InChI:
InChI=1S/C6H5NO4/c7-5(8)3-1-2-4(11-3)6(9)10/h1-2H,(H2,7,8)(H,9,10)
InChI Key:
CYEQGGCLPCDSFY-UHFFFAOYSA-N
SMILES:
NC(=O)c1ccc(o1)C(=O)O
Properties
Complexity:
191  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.022g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
155.109g/mol
Monoisotopic Mass:
155.022g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
93.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties