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

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

CAS No.:
1247496-56-5
Catalog Number:
AG01EK8J
Molecular Formula:
C9H11NO4
Molecular Weight:
197.1879
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Product Description
Catalog Number:
AG01EK8J
Chemical Name:
3-(oxan-4-yl)-1,2-oxazole-5-carboxylic acid
CAS Number:
1247496-56-5
Molecular Formula:
C9H11NO4
Molecular Weight:
197.1879
MDL Number:
MFCD16745961
IUPAC Name:
3-(oxan-4-yl)-1,2-oxazole-5-carboxylic acid
InChI:
InChI=1S/C9H11NO4/c11-9(12)8-5-7(10-14-8)6-1-3-13-4-2-6/h5-6H,1-4H2,(H,11,12)
InChI Key:
LECGSRHBNQZYJJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1onc(c1)C1CCOCC1
Properties
Complexity:
215  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.069g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
197.19g/mol
Monoisotopic Mass:
197.069g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties