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88214-90-8 | 1-Propanone, 3-(2-hydroxyphenyl)-1-(4-methoxyphenyl)-
CAS No: 88214-90-8 Catalog No: AG004BR4 MDL No:
Product Description
Catalog Number:
AG004BR4
Chemical Name:
1-Propanone, 3-(2-hydroxyphenyl)-1-(4-methoxyphenyl)-
CAS Number:
88214-90-8
Molecular Formula:
C16H16O3
Molecular Weight:
256.2964
IUPAC Name:
3-(2-hydroxyphenyl)-1-(4-methoxyphenyl)propan-1-one
InChI:
InChI=1S/C16H16O3/c1-19-14-9-6-13(7-10-14)16(18)11-8-12-4-2-3-5-15(12)17/h2-7,9-10,17H,8,11H2,1H3
InChI Key:
AFBIFHWAZJFTDP-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)CCc1ccccc1O
Properties
Complexity:
282
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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