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174315-56-1 | 2-Propen-1-one, 3-(4-methoxyphenyl)-1-tricyclo[3.3.1.13,7]dec-1-yl-, (E)- (9CI)
CAS No: 174315-56-1 Catalog No: AG001ZL2 MDL No:
Product Description
Catalog Number:
AG001ZL2
Chemical Name:
2-Propen-1-one, 3-(4-methoxyphenyl)-1-tricyclo[3.3.1.13,7]dec-1-yl-, (E)- (9CI)
CAS Number:
174315-56-1
Molecular Formula:
C20H24O2
Molecular Weight:
296.4034
IUPAC Name:
(E)-1-(1-adamantyl)-3-(4-methoxyphenyl)prop-2-en-1-one
InChI:
InChI=1S/C20H24O2/c1-22-18-5-2-14(3-6-18)4-7-19(21)20-11-15-8-16(12-20)10-17(9-15)13-20/h2-7,15-17H,8-13H2,1H3/b7-4+
InChI Key:
AJVCMKSJFUVPNL-QPJJXVBHSA-N
SMILES:
COc1ccc(cc1)/C=C/C(=O)C12CC3CC(C2)CC(C1)C3
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
296.178g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.41g/mol
Monoisotopic Mass:
296.178g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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