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14637-69-5 | Ethanone, 1-[4-(2-phenylcyclopropyl)phenyl]-, trans- (9CI)
CAS No: 14637-69-5 Catalog No: AG001DYJ MDL No:
Product Description
Catalog Number:
AG001DYJ
Chemical Name:
Ethanone, 1-[4-(2-phenylcyclopropyl)phenyl]-, trans- (9CI)
CAS Number:
14637-69-5
Molecular Formula:
C17H16O
Molecular Weight:
236.3083
IUPAC Name:
1-[4-[(1R,2R)-2-phenylcyclopropyl]phenyl]ethanone
InChI:
InChI=1S/C17H16O/c1-12(18)13-7-9-15(10-8-13)17-11-16(17)14-5-3-2-4-6-14/h2-10,16-17H,11H2,1H3/t16-,17-/m0/s1
InChI Key:
RGLSLMAODDWWGI-IRXDYDNUSA-N
SMILES:
CC(=O)c1ccc(cc1)[C@@H]1C[C@H]1c1ccccc1
NSC Number:
86498
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
236.12g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.314g/mol
Monoisotopic Mass:
236.12g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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