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772-69-0 | 2-Furancarboxylicacid, 5-(acetylamino)-
CAS No: 772-69-0 Catalog No: AG0054SE MDL No:
Product Description
Catalog Number:
AG0054SE
Chemical Name:
2-Furancarboxylicacid, 5-(acetylamino)-
CAS Number:
772-69-0
Molecular Formula:
C7H7NO4
Molecular Weight:
169.1348
IUPAC Name:
5-acetamidofuran-2-carboxylic acid
InChI:
InChI=1S/C7H7NO4/c1-4(9)8-6-3-2-5(12-6)7(10)11/h2-3H,1H3,(H,8,9)(H,10,11)
InChI Key:
AYQLZDCFPMUISW-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1ccc(o1)C(=O)O
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.038g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
169.136g/mol
Monoisotopic Mass:
169.038g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
79.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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