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Home > Other Heterocycles > 189321-67-3
189321-67-3 | Spiro[isobenzofuran-1(3H),3'-piperidin]-3-one
CAS No: 189321-67-3 Catalog No: AG002IAV MDL No:MFCD11616038
Product Description
Catalog Number:
AG002IAV
Chemical Name:
Spiro[isobenzofuran-1(3H),3'-piperidin]-3-one
CAS Number:
189321-67-3
Molecular Formula:
C12H13NO2
Molecular Weight:
203.2371
MDL Number:
MFCD11616038
IUPAC Name:
spiro[2-benzofuran-3,3'-piperidine]-1-one
InChI:
InChI=1S/C12H13NO2/c14-11-9-4-1-2-5-10(9)12(15-11)6-3-7-13-8-12/h1-2,4-5,13H,3,6-8H2
InChI Key:
TZVXKRQCQSKVAY-UHFFFAOYSA-N
SMILES:
O=C1OC2(c3c1cccc3)CCCNC2
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.241g/mol
Monoisotopic Mass:
203.095g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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