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1257849-68-5 | 4-Oxazolecarboxylic acid, 2-iodo-
CAS No: 1257849-68-5 Catalog No: AG000OPD MDL No:MFCD18205876
Product Description
Catalog Number:
AG000OPD
Chemical Name:
4-Oxazolecarboxylic acid, 2-iodo-
CAS Number:
1257849-68-5
Molecular Formula:
C4H2INO3
Molecular Weight:
238.9681
MDL Number:
MFCD18205876
IUPAC Name:
2-iodo-1,3-oxazole-4-carboxylic acid
InChI:
InChI=1S/C4H2INO3/c5-4-6-2(1-9-4)3(7)8/h1H,(H,7,8)
InChI Key:
IQPHCGBZIJBDTF-UHFFFAOYSA-N
SMILES:
OC(=O)c1coc(n1)I
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.908g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.968g/mol
Monoisotopic Mass:
238.908g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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