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914637-62-0 | Imidazo[1,2-b]isoxazole-2-carboxylic acid
CAS No: 914637-62-0 Catalog No: AG01FBQW MDL No:
Product Description
Catalog Number:
AG01FBQW
Chemical Name:
Imidazo[1,2-b]isoxazole-2-carboxylic acid
CAS Number:
914637-62-0
Molecular Formula:
C6H4N2O3
Molecular Weight:
152.1076
IUPAC Name:
imidazo[1,2-b][1,2]oxazole-2-carboxylic acid
InChI:
InChI=1S/C6H4N2O3/c9-6(10)4-3-8-5(7-4)1-2-11-8/h1-3H,(H,9,10)
InChI Key:
YTZBOHHWLAORTL-UHFFFAOYSA-N
SMILES:
OC(=O)c1cn2c(n1)cco2
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.022g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
152.109g/mol
Monoisotopic Mass:
152.022g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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