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14568-75-3 | 1H-Indene, 2,3-dihydro-1-methyl-3-phenyl-, (1R,3R)-rel-
CAS No: 14568-75-3 Catalog No: AG001DAP MDL No:
Product Description
Catalog Number:
AG001DAP
Chemical Name:
1H-Indene, 2,3-dihydro-1-methyl-3-phenyl-, (1R,3R)-rel-
CAS Number:
14568-75-3
Molecular Formula:
C16H16
Molecular Weight:
208.2982
IUPAC Name:
(1R,3R)-1-methyl-3-phenyl-2,3-dihydro-1H-indene
InChI:
InChI=1S/C16H16/c1-12-11-16(13-7-3-2-4-8-13)15-10-6-5-9-14(12)15/h2-10,12,16H,11H2,1H3/t12-,16-/m1/s1
InChI Key:
JHIDJKSBZPNVKZ-MLGOLLRUSA-N
SMILES:
C[C@@H]1C[C@@H](c2c1cccc2)c1ccccc1
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
208.125g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.304g/mol
Monoisotopic Mass:
208.125g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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