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106797-53-9 | 2-Hydroxy-1-(4-(2-hydroxyethoxy)phenyl)-2-methylpropan-1-one
CAS No: 106797-53-9 Catalog No: AG003B8F MDL No:MFCD00085267
Product Description
Catalog Number:
AG003B8F
Chemical Name:
2-Hydroxy-1-(4-(2-hydroxyethoxy)phenyl)-2-methylpropan-1-one
CAS Number:
106797-53-9
Molecular Formula:
C12H16O4
Molecular Weight:
224.2530
MDL Number:
MFCD00085267
IUPAC Name:
2-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-1-one
InChI:
InChI=1S/C12H16O4/c1-12(2,15)11(14)9-3-5-10(6-4-9)16-8-7-13/h3-6,13,15H,7-8H2,1-2H3
InChI Key:
GJKGAPPUXSSCFI-UHFFFAOYSA-N
SMILES:
OCCOc1ccc(cc1)C(=O)C(O)(C)C
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.105g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
224.256g/mol
Monoisotopic Mass:
224.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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