Home Other Building Blocks 5-Methyl-2-furoic acid

5-Methyl-2-furoic acid

CAS No.:
1917-15-3
Catalog Number:
AG002FFC
Molecular Formula:
C6H6O3
Molecular Weight:
126.1100
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$23
- +
5g
95%
In Stock USA
United States
$56
- +
10g
98%
In Stock USA
United States
$88
- +
25g
98%
In Stock USA
United States
$213
- +
100g
98%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG002FFC
Chemical Name:
5-Methyl-2-furoic acid
CAS Number:
1917-15-3
Molecular Formula:
C6H6O3
Molecular Weight:
126.1100
MDL Number:
MFCD00092359
IUPAC Name:
5-methylfuran-2-carboxylic acid
InChI:
InChI=1S/C6H6O3/c1-4-2-3-5(9-4)6(7)8/h2-3H,1H3,(H,7,8)
InChI Key:
OVOCLWJUABOAPL-UHFFFAOYSA-N
SMILES:
Cc1ccc(o1)C(=O)O
UNII:
3J3M51P3V4
NSC Number:
35552
Properties
Complexity:
122  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.032g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
126.111g/mol
Monoisotopic Mass:
126.032g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Literature
Title Journal
Gas chromatography/mass spectrometric characterisation of pyrolysis/silylation products of glucose and cellulose. Rapid communications in mass spectrometry : RCM 20020101
Properties