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774225-11-5 | 2,7-Dioxaspiro[4.4]nonane-1,6-dione, 3-(bromoacetyl)-3,8-dimethyl-
CAS No: 774225-11-5 Catalog No: AG0053FT MDL No:
Product Description
Catalog Number:
AG0053FT
Chemical Name:
2,7-Dioxaspiro[4.4]nonane-1,6-dione, 3-(bromoacetyl)-3,8-dimethyl-
CAS Number:
774225-11-5
Molecular Formula:
C11H13BrO5
Molecular Weight:
305.1219
IUPAC Name:
3-(2-bromoacetyl)-3,8-dimethyl-2,7-dioxaspiro[4.4]nonane-1,6-dione
InChI:
InChI=1S/C11H13BrO5/c1-6-3-11(8(14)16-6)5-10(2,7(13)4-12)17-9(11)15/h6H,3-5H2,1-2H3
InChI Key:
VYZYYJFXENIVFK-UHFFFAOYSA-N
SMILES:
BrCC(=O)C1(C)OC(=O)C2(C1)CC(OC2=O)C
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.995g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.124g/mol
Monoisotopic Mass:
303.995g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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