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Home > Pyridines > 133157-31-0
133157-31-0 | Pyridine, 1,2,3,6-tetrahydro-1-(4-methoxyphenyl)-
CAS No: 133157-31-0 Catalog No: AG0014CN MDL No:
Product Description
Catalog Number:
AG0014CN
Chemical Name:
Pyridine, 1,2,3,6-tetrahydro-1-(4-methoxyphenyl)-
CAS Number:
133157-31-0
Molecular Formula:
C12H15NO
Molecular Weight:
189.2536
IUPAC Name:
1-(4-methoxyphenyl)-3,6-dihydro-2H-pyridine
InChI:
InChI=1S/C12H15NO/c1-14-12-7-5-11(6-8-12)13-9-3-2-4-10-13/h2-3,5-8H,4,9-10H2,1H3
InChI Key:
YTCVUOFVWIAAEH-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)N1CCC=CC1
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.115g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.258g/mol
Monoisotopic Mass:
189.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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