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Home > Other Heterocycles > 180160-92-3
180160-92-3 | Spiro[isobenzofuran-1(3H),4'-piperidine], 3,3-dimethyl-
CAS No: 180160-92-3 Catalog No: AG0021QB MDL No:MFCD12828863
Product Description
Catalog Number:
AG0021QB
Chemical Name:
Spiro[isobenzofuran-1(3H),4'-piperidine], 3,3-dimethyl-
CAS Number:
180160-92-3
Molecular Formula:
C14H19NO
Molecular Weight:
217.3068
MDL Number:
MFCD12828863
IUPAC Name:
3,3-dimethylspiro[2-benzofuran-1,4'-piperidine]
InChI:
InChI=1S/C14H19NO/c1-13(2)11-5-3-4-6-12(11)14(16-13)7-9-15-10-8-14/h3-6,15H,7-10H2,1-2H3
InChI Key:
YJJHIMYQURVDAR-UHFFFAOYSA-N
SMILES:
CC1(C)OC2(c3c1cccc3)CCNCC2
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.147g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.312g/mol
Monoisotopic Mass:
217.147g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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