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Home > Other Heterocycles > 648928-53-4
648928-53-4 | Spiro[piperidine-3,9'-[9H]xanthen]-2-one, 1-butyl-
CAS No: 648928-53-4 Catalog No: AG006R24 MDL No:
Product Description
Catalog Number:
AG006R24
Chemical Name:
Spiro[piperidine-3,9'-[9H]xanthen]-2-one, 1-butyl-
CAS Number:
648928-53-4
Molecular Formula:
C21H23NO2
Molecular Weight:
321.4128
IUPAC Name:
1-butylspiro[piperidine-3,9'-xanthene]-2-one
InChI:
InChI=1S/C21H23NO2/c1-2-3-14-22-15-8-13-21(20(22)23)16-9-4-6-11-18(16)24-19-12-7-5-10-17(19)21/h4-7,9-12H,2-3,8,13-15H2,1H3
InChI Key:
AFQPAYXRTJHOLA-UHFFFAOYSA-N
SMILES:
CCCCN1CCCC2(C1=O)c1ccccc1Oc1c2cccc1
Properties
Complexity:
441
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.173g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.42g/mol
Monoisotopic Mass:
321.173g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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