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78947-93-0 | 1,3-Dioxan-2-one, 4-(iodomethyl)-6-methyl-
CAS No: 78947-93-0 Catalog No: AG005CUB MDL No:
Product Description
Catalog Number:
AG005CUB
Chemical Name:
1,3-Dioxan-2-one, 4-(iodomethyl)-6-methyl-
CAS Number:
78947-93-0
Molecular Formula:
C6H9IO3
Molecular Weight:
256.0383
IUPAC Name:
4-(iodomethyl)-6-methyl-1,3-dioxan-2-one
InChI:
InChI=1S/C6H9IO3/c1-4-2-5(3-7)10-6(8)9-4/h4-5H,2-3H2,1H3
InChI Key:
NRIDWPKSYRQLST-UHFFFAOYSA-N
SMILES:
CC1CC(CI)OC(=O)O1
Properties
Complexity:
137
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.96g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.039g/mol
Monoisotopic Mass:
255.96g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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