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1429056-25-6 | 6-Hydroxy-5-iodopyriMidin-4(3H)-one
CAS No: 1429056-25-6 Catalog No: AG00A0BZ MDL No:MFCD21742320
Product Description
Catalog Number:
AG00A0BZ
Chemical Name:
6-Hydroxy-5-iodopyriMidin-4(3H)-one
CAS Number:
1429056-25-6
Molecular Formula:
C4H3IN2O2
Molecular Weight:
237.9833
MDL Number:
MFCD21742320
IUPAC Name:
4-hydroxy-5-iodo-1H-pyrimidin-6-one
InChI:
InChI=1S/C4H3IN2O2/c5-2-3(8)6-1-7-4(2)9/h1H,(H2,6,7,8,9)
InChI Key:
OAUCVETUZZGRQY-UHFFFAOYSA-N
SMILES:
Oc1nc[nH]c(=O)c1I
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.924g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
237.984g/mol
Monoisotopic Mass:
237.924g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
61.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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