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28538-93-4 | 4-(4-Methyl-tetrahydro-pyran-4-yl)-pyridine
CAS No: 28538-93-4 Catalog No: AG01FB37 MDL No:MFCD06637684
Product Description
Catalog Number:
AG01FB37
Chemical Name:
4-(4-Methyl-tetrahydro-pyran-4-yl)-pyridine
CAS Number:
28538-93-4
Molecular Formula:
C11H15NO
Molecular Weight:
177.2429
MDL Number:
MFCD06637684
IUPAC Name:
4-(4-methyloxan-4-yl)pyridine
InChI:
InChI=1S/C11H15NO/c1-11(4-8-13-9-5-11)10-2-6-12-7-3-10/h2-3,6-7H,4-5,8-9H2,1H3
InChI Key:
OFSMTNYFYSPXMY-UHFFFAOYSA-N
SMILES:
CC1(CCOCC1)c1ccncc1
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.115g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.247g/mol
Monoisotopic Mass:
177.115g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
22.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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