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81036-84-2 | 7-Bromo-1,4-dioxaspiro[4.5]dec-7-ene
CAS No: 81036-84-2 Catalog No: AG0056GA MDL No:MFCD08706213
Product Description
Catalog Number:
AG0056GA
Chemical Name:
7-Bromo-1,4-dioxaspiro[4.5]dec-7-ene
CAS Number:
81036-84-2
Molecular Formula:
C8H11BrO2
Molecular Weight:
219.0757
MDL Number:
MFCD08706213
IUPAC Name:
7-bromo-1,4-dioxaspiro[4.5]dec-7-ene
InChI:
InChI=1S/C8H11BrO2/c9-7-2-1-3-8(6-7)10-4-5-11-8/h2H,1,3-6H2
InChI Key:
KOGVFXIYCXYORS-UHFFFAOYSA-N
SMILES:
BrC1=CCCC2(C1)OCCO2
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.994g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.078g/mol
Monoisotopic Mass:
217.994g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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