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87875-53-4 | 2-Cyclohexen-1-one, 3-(2-bromoethoxy)-5,5-dimethyl-
CAS No: 87875-53-4 Catalog No: AG004E98 MDL No:
Product Description
Catalog Number:
AG004E98
Chemical Name:
2-Cyclohexen-1-one, 3-(2-bromoethoxy)-5,5-dimethyl-
CAS Number:
87875-53-4
Molecular Formula:
C10H15BrO2
Molecular Weight:
247.1289
IUPAC Name:
3-(2-bromoethoxy)-5,5-dimethylcyclohex-2-en-1-one
InChI:
InChI=1S/C10H15BrO2/c1-10(2)6-8(12)5-9(7-10)13-4-3-11/h5H,3-4,6-7H2,1-2H3
InChI Key:
XKFWTJWYTYTJLU-UHFFFAOYSA-N
SMILES:
BrCCOC1=CC(=O)CC(C1)(C)C
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.026g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.132g/mol
Monoisotopic Mass:
246.026g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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