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2060060-08-2 | 2-{7-oxaspiro[bicyclo[4.1.0]heptane-3,1'-cyclopropane]-6-yl}pyridine
CAS No: 2060060-08-2 Catalog No: AG01BQDM MDL No:MFCD30501314
Product Description
Catalog Number:
AG01BQDM
Chemical Name:
2-{7-oxaspiro[bicyclo[4.1.0]heptane-3,1'-cyclopropane]-6-yl}pyridine
CAS Number:
2060060-08-2
Molecular Formula:
C13H15NO
Molecular Weight:
201.2643
MDL Number:
MFCD30501314
IUPAC Name:
2-spiro[7-oxabicyclo[4.1.0]heptane-4,1'-cyclopropane]-1-ylpyridine
InChI:
InChI=1S/C13H15NO/c1-2-8-14-10(3-1)13-7-6-12(4-5-12)9-11(13)15-13/h1-3,8,11H,4-7,9H2
InChI Key:
QAPSHPQOPQDECQ-UHFFFAOYSA-N
SMILES:
c1ccc(nc1)C12CCC3(CC2O1)CC3
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.115g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.269g/mol
Monoisotopic Mass:
201.115g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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