Home Carboxys 3-Methyl-4-isoxazolecarboxylic acid methyl ester

3-Methyl-4-isoxazolecarboxylic acid methyl ester

CAS No.:
92234-50-9
Catalog Number:
AG00IH1Z
Molecular Formula:
C6H7NO3
Molecular Weight:
141.1247
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$350
- +
5g
98%
In Stock USA
United States
$1050
- +
Product Description
Catalog Number:
AG00IH1Z
Chemical Name:
3-Methyl-4-isoxazolecarboxylic acid methyl ester
CAS Number:
92234-50-9
Molecular Formula:
C6H7NO3
Molecular Weight:
141.1247
MDL Number:
MFCD12032284
IUPAC Name:
methyl 3-methyl-1,2-oxazole-4-carboxylate
InChI:
InChI=1S/C6H7NO3/c1-4-5(3-10-7-4)6(8)9-2/h3H,1-2H3
InChI Key:
QLWCWMCZEGJNQO-UHFFFAOYSA-N
SMILES:
COC(=O)c1conc1C
Properties
Complexity:
137  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.043g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
141.126g/mol
Monoisotopic Mass:
141.043g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Literature
Title Journal
5-Methyl-isoxazole-4-carboxylic acid. Acta crystallographica. Section E, Structure reports online 20091201
Properties