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89619-69-2 | 2H-Inden-2-one, 1,3-dihydro-1-methyl-3-phenyl-
CAS No: 89619-69-2 Catalog No: AG003X0H MDL No:
Product Description
Catalog Number:
AG003X0H
Chemical Name:
2H-Inden-2-one, 1,3-dihydro-1-methyl-3-phenyl-
CAS Number:
89619-69-2
Molecular Formula:
C16H14O
Molecular Weight:
222.2818
IUPAC Name:
1-methyl-3-phenyl-1,3-dihydroinden-2-one
InChI:
InChI=1S/C16H14O/c1-11-13-9-5-6-10-14(13)15(16(11)17)12-7-3-2-4-8-12/h2-11,15H,1H3
InChI Key:
WXDZXZLMRSRSCJ-UHFFFAOYSA-N
SMILES:
O=C1C(C)c2c(C1c1ccccc1)cccc2
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.104g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.287g/mol
Monoisotopic Mass:
222.104g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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