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84298-08-8 | 1,4,6-Trioxaspiro[4.6]undecane, 2-(bromomethyl)-
CAS No: 84298-08-8 Catalog No: AG004XYT MDL No:
Product Description
Catalog Number:
AG004XYT
Chemical Name:
1,4,6-Trioxaspiro[4.6]undecane, 2-(bromomethyl)-
CAS Number:
84298-08-8
Molecular Formula:
C9H15BrO3
Molecular Weight:
251.1176
IUPAC Name:
3-(bromomethyl)-1,4,11-trioxaspiro[4.6]undecane
InChI:
InChI=1S/C9H15BrO3/c10-6-8-7-12-9(13-8)4-2-1-3-5-11-9/h8H,1-7H2
InChI Key:
GGUKQDWBRZPOCW-UHFFFAOYSA-N
SMILES:
BrCC1COC2(O1)CCCCCO2
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.02g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.12g/mol
Monoisotopic Mass:
250.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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