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Home > Pyridines > 2059974-59-1
2059974-59-1 | 2-{3,5-dimethyl-7-oxabicyclo[4.1.0]heptan-1-yl}pyridine
CAS No: 2059974-59-1 Catalog No: AG01BQDK MDL No:MFCD30501312
Product Description
Catalog Number:
AG01BQDK
Chemical Name:
2-{3,5-dimethyl-7-oxabicyclo[4.1.0]heptan-1-yl}pyridine
CAS Number:
2059974-59-1
Molecular Formula:
C13H17NO
Molecular Weight:
203.2802
MDL Number:
MFCD30501312
IUPAC Name:
2-(3,5-dimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)pyridine
InChI:
InChI=1S/C13H17NO/c1-9-7-10(2)12-13(8-9,15-12)11-5-3-4-6-14-11/h3-6,9-10,12H,7-8H2,1-2H3
InChI Key:
IQYUJEZSHUDKTH-UHFFFAOYSA-N
SMILES:
CC1CC(C)C2C(C1)(O2)c1ccccn1
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.131g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.285g/mol
Monoisotopic Mass:
203.131g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25.4A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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