Home Carboxys 5-(Isoxazol-3-yl)oxazole-4-carboxylic Acid

5-(Isoxazol-3-yl)oxazole-4-carboxylic Acid

CAS No.:
1250404-35-3
Catalog Number:
AG009EWP
Molecular Formula:
C7H4N2O4
Molecular Weight:
180.1177
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Product Description
Catalog Number:
AG009EWP
Chemical Name:
5-(Isoxazol-3-yl)oxazole-4-carboxylic Acid
CAS Number:
1250404-35-3
Molecular Formula:
C7H4N2O4
Molecular Weight:
180.1177
MDL Number:
MFCD16112428
IUPAC Name:
5-(1,2-oxazol-3-yl)-1,3-oxazole-4-carboxylic acid
InChI:
InChI=1S/C7H4N2O4/c10-7(11)5-6(12-3-8-5)4-1-2-13-9-4/h1-3H,(H,10,11)
InChI Key:
MHJMDBBAEVYPIZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ncoc1c1nocc1
Properties
Complexity:
211  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.017g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
180.119g/mol
Monoisotopic Mass:
180.017g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
89.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties