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138878-99-6 | 1H-Inden-1-one, 2,3-dihydro-2-[(1-methyl-4-piperidinyl)methyl]-, (S)- (9CI)
CAS No: 138878-99-6 Catalog No: AG0019QB MDL No:
Product Description
Catalog Number:
AG0019QB
Chemical Name:
1H-Inden-1-one, 2,3-dihydro-2-[(1-methyl-4-piperidinyl)methyl]-, (S)- (9CI)
CAS Number:
138878-99-6
Molecular Formula:
C16H21NO
Molecular Weight:
243.3440
IUPAC Name:
(2S)-2-[(1-methylpiperidin-4-yl)methyl]-2,3-dihydroinden-1-one
InChI:
InChI=1S/C16H21NO/c1-17-8-6-12(7-9-17)10-14-11-13-4-2-3-5-15(13)16(14)18/h2-5,12,14H,6-11H2,1H3/t14-/m0/s1
InChI Key:
BPVUQMXHSAOCEZ-AWEZNQCLSA-N
SMILES:
CN1CCC(CC1)C[C@H]1Cc2c(C1=O)cccc2
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
243.162g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.35g/mol
Monoisotopic Mass:
243.162g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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