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84658-00-4 | 7,12-Dioxaspiro[5.6]dodecane, 1-bromo-
CAS No: 84658-00-4 Catalog No: AG0050FA MDL No:
Product Description
Catalog Number:
AG0050FA
Chemical Name:
7,12-Dioxaspiro[5.6]dodecane, 1-bromo-
CAS Number:
84658-00-4
Molecular Formula:
C10H17BrO2
Molecular Weight:
249.1448
IUPAC Name:
5-bromo-7,12-dioxaspiro[5.6]dodecane
InChI:
InChI=1S/C10H17BrO2/c11-9-5-1-2-6-10(9)12-7-3-4-8-13-10/h9H,1-8H2
InChI Key:
TVGVWQHOFGNMPB-UHFFFAOYSA-N
SMILES:
BrC1CCCCC21OCCCCO2
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.041g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.148g/mol
Monoisotopic Mass:
248.041g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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