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88174-63-4 | 2-Cyclohexen-1-one, 5-(4-bromo-2,6-dimethylphenyl)-3-hydroxy-
CAS No: 88174-63-4 Catalog No: AG004D68 MDL No:
Product Description
Catalog Number:
AG004D68
Chemical Name:
2-Cyclohexen-1-one, 5-(4-bromo-2,6-dimethylphenyl)-3-hydroxy-
CAS Number:
88174-63-4
Molecular Formula:
C14H15BrO2
Molecular Weight:
295.1717
IUPAC Name:
5-(4-bromo-2,6-dimethylphenyl)-3-hydroxycyclohex-2-en-1-one
InChI:
InChI=1S/C14H15BrO2/c1-8-3-11(15)4-9(2)14(8)10-5-12(16)7-13(17)6-10/h3-4,7,10,16H,5-6H2,1-2H3
InChI Key:
BSRIPLZMGZFCRC-UHFFFAOYSA-N
SMILES:
OC1=CC(=O)CC(C1)c1c(C)cc(cc1C)Br
Properties
Complexity:
325
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:
1
Isotope Atom Count:
0
Molecular Weight:
295.176g/mol
Monoisotopic Mass:
294.026g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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