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26048-12-4 | 4H-Cyclopenta-1,3-dioxole, 4,6-dibromotetrahydro-2,2-dimethyl-, (3aR,4R,6S,6aS)-rel-
CAS No: 26048-12-4 Catalog No: AG002RIK MDL No:
Product Description
Catalog Number:
AG002RIK
Chemical Name:
4H-Cyclopenta-1,3-dioxole, 4,6-dibromotetrahydro-2,2-dimethyl-, (3aR,4R,6S,6aS)-rel-
CAS Number:
26048-12-4
Molecular Formula:
C8H12Br2O2
Molecular Weight:
299.9877
IUPAC Name:
4,6-dibromo-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole
InChI:
InChI=1S/C8H12Br2O2/c1-8(2)11-6-4(9)3-5(10)7(6)12-8/h4-7H,3H2,1-2H3
InChI Key:
MHVIJJUGIWZJKJ-UHFFFAOYSA-N
SMILES:
Br[C@@H]1C[C@@H]([C@@H]2[C@H]1OC(O2)(C)C)Br
NSC Number:
128292
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.918g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.99g/mol
Monoisotopic Mass:
297.92g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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