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110364-40-4 | 2-Cyclohexen-1-one, 2-hydroxy-6-iodo-6-methyl-3-(1-methylethyl)-
CAS No: 110364-40-4 Catalog No: AG007V6O MDL No:
Product Description
Catalog Number:
AG007V6O
Chemical Name:
2-Cyclohexen-1-one, 2-hydroxy-6-iodo-6-methyl-3-(1-methylethyl)-
CAS Number:
110364-40-4
Molecular Formula:
C10H15IO2
Molecular Weight:
294.1294
IUPAC Name:
2-hydroxy-6-iodo-6-methyl-3-propan-2-ylcyclohex-2-en-1-one
InChI:
InChI=1S/C10H15IO2/c1-6(2)7-4-5-10(3,11)9(13)8(7)12/h6,12H,4-5H2,1-3H3
InChI Key:
FDTHIYVWIMXSOF-UHFFFAOYSA-N
SMILES:
CC(C1=C(O)C(=O)C(CC1)(C)I)C
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.012g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
294.132g/mol
Monoisotopic Mass:
294.012g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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