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16031-03-1 | 1H-Inden-1-one, 2,3-dihydro-2-(phenylmethylene)-3-(1-piperidinyl)-
CAS No: 16031-03-1 Catalog No: AG001RU5 MDL No:
Product Description
Catalog Number:
AG001RU5
Chemical Name:
1H-Inden-1-one, 2,3-dihydro-2-(phenylmethylene)-3-(1-piperidinyl)-
CAS Number:
16031-03-1
Molecular Formula:
C21H21NO
Molecular Weight:
303.3975
IUPAC Name:
2-benzylidene-3-piperidin-1-yl-3H-inden-1-one
InChI:
InChI=1S/C21H21NO/c23-21-18-12-6-5-11-17(18)20(22-13-7-2-8-14-22)19(21)15-16-9-3-1-4-10-16/h1,3-6,9-12,15,20H,2,7-8,13-14H2
InChI Key:
BAHQYEATYGDCKK-UHFFFAOYSA-N
SMILES:
O=C1c2ccccc2C(C1=Cc1ccccc1)N1CCCCC1
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.162g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.405g/mol
Monoisotopic Mass:
303.162g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
4.2
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