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Home > Other Heterocycles > 67615-46-7
67615-46-7 | 2-Propen-1-one, 1-bicyclo[2.2.1]hept-2-yl-2-methyl-3-phenyl-
CAS No: 67615-46-7 Catalog No: AG006DF3 MDL No:
Product Description
Catalog Number:
AG006DF3
Chemical Name:
2-Propen-1-one, 1-bicyclo[2.2.1]hept-2-yl-2-methyl-3-phenyl-
CAS Number:
67615-46-7
Molecular Formula:
C17H20O
Molecular Weight:
240.3401
IUPAC Name:
1-(2-bicyclo[2.2.1]heptanyl)-2-methyl-3-phenylprop-2-en-1-one
InChI:
InChI=1S/C17H20O/c1-12(9-13-5-3-2-4-6-13)17(18)16-11-14-7-8-15(16)10-14/h2-6,9,14-16H,7-8,10-11H2,1H3
InChI Key:
AYGHIFDIQQMCQE-UHFFFAOYSA-N
SMILES:
O=C(C1CC2CC1CC2)C(=Cc1ccccc1)C
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.151g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.346g/mol
Monoisotopic Mass:
240.151g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
1
XLogP3:
4.4
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