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88174-66-7 | 2-Cyclohexen-1-one, 5-(3-chloro-2,4,6-trimethylphenyl)-3-hydroxy-
CAS No: 88174-66-7 Catalog No: AG004F0E MDL No:
Product Description
Catalog Number:
AG004F0E
Chemical Name:
2-Cyclohexen-1-one, 5-(3-chloro-2,4,6-trimethylphenyl)-3-hydroxy-
CAS Number:
88174-66-7
Molecular Formula:
C15H17ClO2
Molecular Weight:
264.7473
IUPAC Name:
5-(3-chloro-2,4,6-trimethylphenyl)-3-hydroxycyclohex-2-en-1-one
InChI:
InChI=1S/C15H17ClO2/c1-8-4-9(2)15(16)10(3)14(8)11-5-12(17)7-13(18)6-11/h4,7,11,17H,5-6H2,1-3H3
InChI Key:
GGINUKZVVPTTFI-UHFFFAOYSA-N
SMILES:
OC1=CC(=O)CC(C1)c1c(C)cc(c(c1C)Cl)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:
264.092g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.749g/mol
Monoisotopic Mass:
264.092g/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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