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1013929-55-9 | 5-ISOXAZOLECARBOXYLIC ACID, 3-AMINO-
CAS No: 1013929-55-9 Catalog No: AG0004D5 MDL No:
Product Description
Catalog Number:
AG0004D5
Chemical Name:
5-ISOXAZOLECARBOXYLIC ACID, 3-AMINO-
CAS Number:
1013929-55-9
Molecular Formula:
C4H4N2O3
Molecular Weight:
128.0862
IUPAC Name:
3-amino-1,2-oxazole-5-carboxylic acid
InChI:
InChI=1S/C4H4N2O3/c5-3-1-2(4(7)8)9-6-3/h1H,(H2,5,6)(H,7,8)
InChI Key:
KZRBTFSMIBKPGE-UHFFFAOYSA-N
SMILES:
Nc1cc(on1)C(=O)O
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.022g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
128.087g/mol
Monoisotopic Mass:
128.022g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
89.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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