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1823958-98-0 | 5-Oxazolecarboxylic acid, 2-iodo-4-methyl-
CAS No: 1823958-98-0 Catalog No: AG0023TD MDL No:MFCD27922817
Product Description
Catalog Number:
AG0023TD
Chemical Name:
5-Oxazolecarboxylic acid, 2-iodo-4-methyl-
CAS Number:
1823958-98-0
Molecular Formula:
C5H4INO3
Molecular Weight:
252.9946
MDL Number:
MFCD27922817
IUPAC Name:
2-iodo-4-methyl-1,3-oxazole-5-carboxylic acid
InChI:
InChI=1S/C5H4INO3/c1-2-3(4(8)9)10-5(6)7-2/h1H3,(H,8,9)
InChI Key:
MUYZAIZJPLICGN-UHFFFAOYSA-N
SMILES:
Ic1nc(c(o1)C(=O)O)C
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.924g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.995g/mol
Monoisotopic Mass:
252.924g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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