Home Carboxys 5-(furan-3-yl)-1,2-oxazole-4-carboxylic acid

5-(furan-3-yl)-1,2-oxazole-4-carboxylic acid

CAS No.:
1540898-58-5
Catalog Number:
AG01AFCS
Molecular Formula:
C8H5NO4
Molecular Weight:
179.1296
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Product Description
Catalog Number:
AG01AFCS
Chemical Name:
5-(furan-3-yl)-1,2-oxazole-4-carboxylic acid
CAS Number:
1540898-58-5
Molecular Formula:
C8H5NO4
Molecular Weight:
179.1296
MDL Number:
MFCD24170054
IUPAC Name:
5-(furan-3-yl)-1,2-oxazole-4-carboxylic acid
InChI:
InChI=1S/C8H5NO4/c10-8(11)6-3-9-13-7(6)5-1-2-12-4-5/h1-4H,(H,10,11)
InChI Key:
NBLAWCJCDVSVRQ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnoc1c1cocc1
Properties
Complexity:
208  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.022g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
179.131g/mol
Monoisotopic Mass:
179.022g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
76.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties