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88503-09-7 | 2-Propen-1-one, 1-(3-chloro-2-hydroxy-4,6-dimethoxyphenyl)-3-phenyl-
CAS No: 88503-09-7 Catalog No: AG00494V MDL No:
Product Description
Catalog Number:
AG00494V
Chemical Name:
2-Propen-1-one, 1-(3-chloro-2-hydroxy-4,6-dimethoxyphenyl)-3-phenyl-
CAS Number:
88503-09-7
Molecular Formula:
C17H15ClO4
Molecular Weight:
318.7516
IUPAC Name:
1-(3-chloro-2-hydroxy-4,6-dimethoxyphenyl)-3-phenylprop-2-en-1-one
InChI:
InChI=1S/C17H15ClO4/c1-21-13-10-14(22-2)16(18)17(20)15(13)12(19)9-8-11-6-4-3-5-7-11/h3-10,20H,1-2H3
InChI Key:
MIEJCWBYFUHZII-UHFFFAOYSA-N
SMILES:
COc1cc(OC)c(c(c1C(=O)C=Cc1ccccc1)O)Cl
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.066g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
318.753g/mol
Monoisotopic Mass:
318.066g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.5
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