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642088-17-3 | 2-Cyclohexen-1-one, 3-hydroxy-2-iodo-
CAS No: 642088-17-3 Catalog No: AG00ILGY MDL No:
Product Description
Catalog Number:
AG00ILGY
Chemical Name:
2-Cyclohexen-1-one, 3-hydroxy-2-iodo-
CAS Number:
642088-17-3
Molecular Formula:
C6H7IO2
Molecular Weight:
238.0231
IUPAC Name:
3-hydroxy-2-iodocyclohex-2-en-1-one
InChI:
InChI=1S/C6H7IO2/c7-6-4(8)2-1-3-5(6)9/h8H,1-3H2
InChI Key:
FEFGOJAUQXBSDP-UHFFFAOYSA-N
SMILES:
IC1=C(O)CCCC1=O
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.949g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.024g/mol
Monoisotopic Mass:
237.949g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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