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847822-68-8 | 3-IODO-PYRAN-2-ONE
CAS No: 847822-68-8 Catalog No: AG004XOJ MDL No:
Product Description
Catalog Number:
AG004XOJ
Chemical Name:
3-IODO-PYRAN-2-ONE
CAS Number:
847822-68-8
Molecular Formula:
C5H3IO2
Molecular Weight:
221.9806
IUPAC Name:
3-iodopyran-2-one
InChI:
InChI=1S/C5H3IO2/c6-4-2-1-3-8-5(4)7/h1-3H
InChI Key:
LFHSNLRTGGKKRT-UHFFFAOYSA-N
SMILES:
O=c1occcc1I
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.918g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.981g/mol
Monoisotopic Mass:
221.918g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| [Microbial contamination of penile tissues as a risk factor for complications in the treatment of hypospadia]. | Urologiia (Moscow, Russia : 1999) 20110101 |
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