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113505-74-1 | 1,3-Dioxan-4-one, 2-(1,1-dimethylethyl)-6-methyl-5-(phenylseleno)-
CAS No: 113505-74-1 Catalog No: AG0008TJ MDL No:
Product Description
Catalog Number:
AG0008TJ
Chemical Name:
1,3-Dioxan-4-one, 2-(1,1-dimethylethyl)-6-methyl-5-(phenylseleno)-
CAS Number:
113505-74-1
Molecular Formula:
C15H20O3Se
Molecular Weight:
327.2775
IUPAC Name:
2-tert-butyl-6-methyl-5-phenylselanyl-1,3-dioxan-4-one
InChI:
InChI=1S/C15H20O3Se/c1-10-12(19-11-8-6-5-7-9-11)13(16)18-14(17-10)15(2,3)4/h5-10,12,14H,1-4H3
InChI Key:
XKVGUYTWNNWYQZ-UHFFFAOYSA-N
SMILES:
CC1OC(OC(=O)C1[Se]c1ccccc1)C(C)(C)C
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.058g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
327.293g/mol
Monoisotopic Mass:
328.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
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