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Home > Other Heterocycles > 1292290-38-0
1292290-38-0 | (3S)-3-(4-{[4-(1'H-Spiro[indene-1,4'-piperidin]-1'-ylmethyl)benzyl]oxy}hex-4-ynoic acid
CAS No: 1292290-38-0 Catalog No: AG01E68L MDL No:
Product Description
Catalog Number:
AG01E68L
Chemical Name:
(3S)-3-(4-{[4-(1'H-Spiro[indene-1,4'-piperidin]-1'-ylmethyl)benzyl]oxy}hex-4-ynoic acid
CAS Number:
1292290-38-0
IUPAC Name:
(3S)-3-[4-[[4-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)phenyl]methoxy]phenyl]hex-4-ynoic acid
InChI:
InChI=1S/C33H33NO3/c1-2-5-29(22-32(35)36)27-12-14-30(15-13-27)37-24-26-10-8-25(9-11-26)23-34-20-18-33(19-21-34)17-16-28-6-3-4-7-31(28)33/h3-4,6-17,29H,18-24H2,1H3,(H,35,36)/t29-/m0/s1
InChI Key:
FHRWHNJJQGSCQC-LJAQVGFWSA-N
UNII:
LAD0ZG7FFO
Properties
Complexity:
843
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
491.246g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
491.631g/mol
Monoisotopic Mass:
491.246g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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