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139600-24-1 | 2-Propen-1-one, 3-(4-chlorophenyl)-3-hydroxy-1-(4-methoxyphenyl)-
CAS No: 139600-24-1 Catalog No: AG001BCZ MDL No:
Product Description
Catalog Number:
AG001BCZ
Chemical Name:
2-Propen-1-one, 3-(4-chlorophenyl)-3-hydroxy-1-(4-methoxyphenyl)-
CAS Number:
139600-24-1
Molecular Formula:
C16H13ClO3
Molecular Weight:
288.7256
IUPAC Name:
1-(4-chlorophenyl)-3-hydroxy-3-(4-methoxyphenyl)prop-2-en-1-one
InChI:
InChI=1S/C16H13ClO3/c1-20-14-8-4-12(5-9-14)16(19)10-15(18)11-2-6-13(17)7-3-11/h2-10,19H,1H3
InChI Key:
HTMTWZVXZBFVCK-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)C=C(c1ccc(cc1)Cl)O
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.055g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
288.727g/mol
Monoisotopic Mass:
288.055g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.3
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