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Home > Other Heterocycles > 89466-84-2
89466-84-2 | Spiro[benzofuran-2(3H),3'-piperidine](9CI)
CAS No: 89466-84-2 Catalog No: AG0042AG MDL No:
Product Description
Catalog Number:
AG0042AG
Chemical Name:
Spiro[benzofuran-2(3H),3'-piperidine](9CI)
CAS Number:
89466-84-2
Molecular Formula:
C12H15NO
Molecular Weight:
189.2536
IUPAC Name:
spiro[3H-1-benzofuran-2,3'-piperidine]
InChI:
InChI=1S/C12H15NO/c1-2-5-11-10(4-1)8-12(14-11)6-3-7-13-9-12/h1-2,4-5,13H,3,6-9H2
InChI Key:
NWVKCARSJJXIPN-UHFFFAOYSA-N
SMILES:
C1CCC2(CN1)Cc1c(O2)cccc1
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.115g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.258g/mol
Monoisotopic Mass:
189.115g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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