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142075-23-8 | 2-Butanone, 3-hydroxy-1-phenoxy-3-phenyl-
CAS No: 142075-23-8 Catalog No: AG001HP5 MDL No:
Product Description
Catalog Number:
AG001HP5
Chemical Name:
2-Butanone, 3-hydroxy-1-phenoxy-3-phenyl-
CAS Number:
142075-23-8
Molecular Formula:
C16H16O3
Molecular Weight:
256.2964
IUPAC Name:
3-hydroxy-1-phenoxy-3-phenylbutan-2-one
InChI:
InChI=1S/C16H16O3/c1-16(18,13-8-4-2-5-9-13)15(17)12-19-14-10-6-3-7-11-14/h2-11,18H,12H2,1H3
InChI Key:
CHPWFBGRJPNYIM-UHFFFAOYSA-N
SMILES:
O=C(C(c1ccccc1)(O)C)COc1ccccc1
Properties
Complexity:
290
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:
2.9
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