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87831-10-5 | 1-Propanone, 3-hydroxy-3-(2-methoxyphenyl)-1-phenyl-
CAS No: 87831-10-5 Catalog No: AG004H7I MDL No:
Product Description
Catalog Number:
AG004H7I
Chemical Name:
1-Propanone, 3-hydroxy-3-(2-methoxyphenyl)-1-phenyl-
CAS Number:
87831-10-5
Molecular Formula:
C16H16O3
Molecular Weight:
256.2964
IUPAC Name:
3-hydroxy-3-(2-methoxyphenyl)-1-phenylpropan-1-one
InChI:
InChI=1S/C16H16O3/c1-19-16-10-6-5-9-13(16)15(18)11-14(17)12-7-3-2-4-8-12/h2-10,15,18H,11H2,1H3
InChI Key:
ZWIRLNYCOMVBSO-UHFFFAOYSA-N
SMILES:
COc1ccccc1C(CC(=O)c1ccccc1)O
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.11g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.301g/mol
Monoisotopic Mass:
256.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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