Home Carboxys 5-(hydroxymethyl)-3-methylfuran-2-carboxylic acid

5-(hydroxymethyl)-3-methylfuran-2-carboxylic acid

CAS No.:
121756-65-8
Catalog Number:
AG01AE3T
Molecular Formula:
C7H8O4
Molecular Weight:
156.1360
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Product Description
Catalog Number:
AG01AE3T
Chemical Name:
5-(hydroxymethyl)-3-methylfuran-2-carboxylic acid
CAS Number:
121756-65-8
Molecular Formula:
C7H8O4
Molecular Weight:
156.1360
MDL Number:
MFCD12093268
IUPAC Name:
5-(hydroxymethyl)-3-methylfuran-2-carboxylic acid
InChI:
InChI=1S/C7H8O4/c1-4-2-5(3-8)11-6(4)7(9)10/h2,8H,3H2,1H3,(H,9,10)
InChI Key:
NPZFNBLPFJDMMA-UHFFFAOYSA-N
SMILES:
OCc1cc(c(o1)C(=O)O)C
Properties
Complexity:
157  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.042g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
156.137g/mol
Monoisotopic Mass:
156.042g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
70.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties