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54094-08-5 | (4-Chlorophenyl) (4-Hydroxy-3,5-Dimethoxyphenyl) Ketone
CAS No: 54094-08-5 Catalog No: AG003BV8 MDL No:
Product Description
Catalog Number:
AG003BV8
Chemical Name:
(4-Chlorophenyl) (4-Hydroxy-3,5-Dimethoxyphenyl) Ketone
CAS Number:
54094-08-5
Molecular Formula:
C15H13ClO4
Molecular Weight:
292.7143
IUPAC Name:
(4-chlorophenyl)-(4-hydroxy-3,5-dimethoxyphenyl)methanone
InChI:
InChI=1S/C15H13ClO4/c1-19-12-7-10(8-13(20-2)15(12)18)14(17)9-3-5-11(16)6-4-9/h3-8,18H,1-2H3
InChI Key:
NIWZWPORQPHZPU-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1O)OC)C(=O)c1ccc(cc1)Cl
EC Number:
258-973-4
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.05g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
292.715g/mol
Monoisotopic Mass:
292.05g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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