Home Carboxys 3,4-dimethylfuran-2-carboxylic acid

3,4-dimethylfuran-2-carboxylic acid

CAS No.:
78405-59-1
Catalog Number:
AG01BA1F
Molecular Formula:
C7H8O3
Molecular Weight:
140.1366
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Product Description
Catalog Number:
AG01BA1F
Chemical Name:
3,4-dimethylfuran-2-carboxylic acid
CAS Number:
78405-59-1
Molecular Formula:
C7H8O3
Molecular Weight:
140.1366
MDL Number:
MFCD19230041
IUPAC Name:
3,4-dimethylfuran-2-carboxylic acid
InChI:
InChI=1S/C7H8O3/c1-4-3-10-6(5(4)2)7(8)9/h3H,1-2H3,(H,8,9)
InChI Key:
RGXGGXHUHMONMJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1occ(c1C)C
Properties
Complexity:
144  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.047g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
140.138g/mol
Monoisotopic Mass:
140.047g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties