Home Carboxys 5-Isoxazolecarboxylic acid, 3-(aminocarbonyl)-

5-Isoxazolecarboxylic acid, 3-(aminocarbonyl)-

CAS No.:
251912-77-3
Catalog Number:
AG002QTM
Molecular Formula:
C5H4N2O4
Molecular Weight:
156.0963
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Product Description
Catalog Number:
AG002QTM
Chemical Name:
5-Isoxazolecarboxylic acid, 3-(aminocarbonyl)-
CAS Number:
251912-77-3
Molecular Formula:
C5H4N2O4
Molecular Weight:
156.0963
MDL Number:
MFCD18821846
IUPAC Name:
3-carbamoyl-1,2-oxazole-5-carboxylic acid
InChI:
InChI=1S/C5H4N2O4/c6-4(8)2-1-3(5(9)10)11-7-2/h1H,(H2,6,8)(H,9,10)
InChI Key:
NECCPWTUSABFRC-UHFFFAOYSA-N
SMILES:
NC(=O)c1noc(c1)C(=O)O
Properties
Complexity:
193  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.017g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
156.097g/mol
Monoisotopic Mass:
156.017g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6  
Properties