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Home > Pyridines > 439148-02-4
439148-02-4 | 4-(4-Benzyloxan-4-yl)pyridine
CAS No: 439148-02-4 Catalog No: AG01EVYI MDL No:MFCD02929408
Product Description
Catalog Number:
AG01EVYI
Chemical Name:
4-(4-Benzyloxan-4-yl)pyridine
CAS Number:
439148-02-4
Molecular Formula:
C17H19NO
Molecular Weight:
253.3389
MDL Number:
MFCD02929408
IUPAC Name:
4-(4-benzyloxan-4-yl)pyridine
InChI:
InChI=1S/C17H19NO/c1-2-4-15(5-3-1)14-17(8-12-19-13-9-17)16-6-10-18-11-7-16/h1-7,10-11H,8-9,12-14H2
InChI Key:
JXMXNSLEQUNXTE-UHFFFAOYSA-N
SMILES:
O1CCC(CC1)(Cc1ccccc1)c1ccncc1
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.147g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.345g/mol
Monoisotopic Mass:
253.147g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
22.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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