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18922-13-9 | 3-Hexanone, 4,4-bis(4-hydroxyphenyl)-
CAS No: 18922-13-9 Catalog No: AG002I38 MDL No:
Product Description
Catalog Number:
AG002I38
Chemical Name:
3-Hexanone, 4,4-bis(4-hydroxyphenyl)-
CAS Number:
18922-13-9
Molecular Formula:
C18H20O3
Molecular Weight:
284.3496
IUPAC Name:
4,4-bis(4-hydroxyphenyl)hexan-3-one
InChI:
InChI=1S/C18H20O3/c1-3-17(21)18(4-2,13-5-9-15(19)10-6-13)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3
InChI Key:
VXQMNZNWFJLHAO-UHFFFAOYSA-N
SMILES:
CCC(c1ccc(cc1)O)(c1ccc(cc1)O)C(=O)CC
UNII:
3X2BX5I3ZZ
NSC Number:
408851
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.141g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
284.355g/mol
Monoisotopic Mass:
284.141g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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