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7510-29-4 | 2,4,6-tributyl-1,3,5-trioxane
CAS No: 7510-29-4 Catalog No: AG005ECM MDL No:
Product Description
Catalog Number:
AG005ECM
Chemical Name:
2,4,6-tributyl-1,3,5-trioxane
CAS Number:
7510-29-4
Molecular Formula:
C15H30O3
Molecular Weight:
258.3969
IUPAC Name:
2,4,6-tributyl-1,3,5-trioxane
InChI:
InChI=1S/C15H30O3/c1-4-7-10-13-16-14(11-8-5-2)18-15(17-13)12-9-6-3/h13-15H,4-12H2,1-3H3
InChI Key:
VIRDDOWSTFNAKS-UHFFFAOYSA-N
SMILES:
CCCCC1OC(CCCC)OC(O1)CCCC
NSC Number:
405652
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.219g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.402g/mol
Monoisotopic Mass:
258.219g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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