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155269-25-3 | 2-Propen-1-one, 1-(4-hydroxyphenyl)-3-[4-(1-methylethyl)phenyl]-, (E)- (9CI)
CAS No: 155269-25-3 Catalog No: AG001NRV MDL No:MFCD03788396
Product Description
Catalog Number:
AG001NRV
Chemical Name:
2-Propen-1-one, 1-(4-hydroxyphenyl)-3-[4-(1-methylethyl)phenyl]-, (E)- (9CI)
CAS Number:
155269-25-3
Molecular Formula:
C18H18O2
Molecular Weight:
266.3343
MDL Number:
MFCD03788396
IUPAC Name:
(E)-1-(4-hydroxyphenyl)-3-(4-propan-2-ylphenyl)prop-2-en-1-one
InChI:
InChI=1S/C18H18O2/c1-13(2)15-6-3-14(4-7-15)5-12-18(20)16-8-10-17(19)11-9-16/h3-13,19H,1-2H3/b12-5+
InChI Key:
HGQUTJXFBWOUHB-LFYBBSHMSA-N
SMILES:
Oc1ccc(cc1)C(=O)/C=C/c1ccc(cc1)C(C)C
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
266.131g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
266.34g/mol
Monoisotopic Mass:
266.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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