Home Carboxys 2-Methyl-3,4-furandicarboxylic acid

2-Methyl-3,4-furandicarboxylic acid

CAS No.:
54576-44-2
Catalog Number:
AG00DCTZ
Molecular Formula:
C7H6O5
Molecular Weight:
170.1195
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$168
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Product Description
Catalog Number:
AG00DCTZ
Chemical Name:
2-Methyl-3,4-furandicarboxylic acid
CAS Number:
54576-44-2
Molecular Formula:
C7H6O5
Molecular Weight:
170.1195
MDL Number:
MFCD06253869
IUPAC Name:
2-methylfuran-3,4-dicarboxylic acid
InChI:
InChI=1S/C7H6O5/c1-3-5(7(10)11)4(2-12-3)6(8)9/h2H,1H3,(H,8,9)(H,10,11)
InChI Key:
DMVWTHJBGHANLQ-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(C)occ1C(=O)O
Properties
Complexity:
212  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.022g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
170.12g/mol
Monoisotopic Mass:
170.022g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties