Home Carboxys 2-methyl-1,3-oxazole-4,5-dicarboxylic acid

2-methyl-1,3-oxazole-4,5-dicarboxylic acid

CAS No.:
855404-45-4
Catalog Number:
AG01AEY1
Molecular Formula:
C6H5NO5
Molecular Weight:
171.1076
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01AEY1
Chemical Name:
2-methyl-1,3-oxazole-4,5-dicarboxylic acid
CAS Number:
855404-45-4
Molecular Formula:
C6H5NO5
Molecular Weight:
171.1076
MDL Number:
MFCD16989064
IUPAC Name:
2-methyl-1,3-oxazole-4,5-dicarboxylic acid
InChI:
InChI=1S/C6H5NO5/c1-2-7-3(5(8)9)4(12-2)6(10)11/h1H3,(H,8,9)(H,10,11)
InChI Key:
OIYQJZAGTOCYLA-UHFFFAOYSA-N
SMILES:
Cc1nc(c(o1)C(=O)O)C(=O)O
Properties
Complexity:
216  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.017g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
171.108g/mol
Monoisotopic Mass:
171.017g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties