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125962-60-9 | 1,4-Dioxaspiro[4.5]dec-7-ene, 8-(4-bromophenyl)-
CAS No: 125962-60-9 Catalog No: AG000QLC MDL No:
Product Description
Catalog Number:
AG000QLC
Chemical Name:
1,4-Dioxaspiro[4.5]dec-7-ene, 8-(4-bromophenyl)-
CAS Number:
125962-60-9
Molecular Formula:
C14H15BrO2
Molecular Weight:
295.1717
IUPAC Name:
8-(4-bromophenyl)-1,4-dioxaspiro[4.5]dec-7-ene
InChI:
InChI=1S/C14H15BrO2/c15-13-3-1-11(2-4-13)12-5-7-14(8-6-12)16-9-10-17-14/h1-5H,6-10H2
InChI Key:
OWDXWFQOWJGTRP-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)C1=CCC2(CC1)OCCO2
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.026g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.176g/mol
Monoisotopic Mass:
294.026g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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