Home Carboxys 5-acetyl-2-methylfuran-3-carboxylic acid

5-acetyl-2-methylfuran-3-carboxylic acid

CAS No.:
1211585-73-7
Catalog Number:
AG01BC84
Molecular Formula:
C8H8O4
Molecular Weight:
168.1467
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Product Description
Catalog Number:
AG01BC84
Chemical Name:
5-acetyl-2-methylfuran-3-carboxylic acid
CAS Number:
1211585-73-7
Molecular Formula:
C8H8O4
Molecular Weight:
168.1467
MDL Number:
MFCD24501965
IUPAC Name:
5-acetyl-2-methylfuran-3-carboxylic acid
InChI:
InChI=1S/C8H8O4/c1-4(9)7-3-6(8(10)11)5(2)12-7/h3H,1-2H3,(H,10,11)
InChI Key:
LIKOFZUZYLUNET-UHFFFAOYSA-N
SMILES:
CC(=O)c1cc(c(o1)C)C(=O)O
Properties
Complexity:
211  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.042g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
168.148g/mol
Monoisotopic Mass:
168.042g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties