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88174-97-4 | 2-Cyclohexen-1-one, 5-(6-bromo-2,3,4-trimethylphenyl)-3-hydroxy-
CAS No: 88174-97-4 Catalog No: AG004F08 MDL No:
Product Description
Catalog Number:
AG004F08
Chemical Name:
2-Cyclohexen-1-one, 5-(6-bromo-2,3,4-trimethylphenyl)-3-hydroxy-
CAS Number:
88174-97-4
Molecular Formula:
C15H17BrO2
Molecular Weight:
309.1983
IUPAC Name:
5-(6-bromo-2,3,4-trimethylphenyl)-3-hydroxycyclohex-2-en-1-one
InChI:
InChI=1S/C15H17BrO2/c1-8-4-14(16)15(10(3)9(8)2)11-5-12(17)7-13(18)6-11/h4,7,11,17H,5-6H2,1-3H3
InChI Key:
YPJIORPWGCXXDD-UHFFFAOYSA-N
SMILES:
OC1=CC(=O)CC(C1)c1c(Br)cc(c(c1C)C)C
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.041g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
309.203g/mol
Monoisotopic Mass:
308.041g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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