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88593-63-9 | Pyridine, 1,2,3,6-tetrahydro-5-(3-methoxyphenyl)-
CAS No: 88593-63-9 Catalog No: AG004CWC MDL No:
Product Description
Catalog Number:
AG004CWC
Chemical Name:
Pyridine, 1,2,3,6-tetrahydro-5-(3-methoxyphenyl)-
CAS Number:
88593-63-9
Molecular Formula:
C12H15NO
Molecular Weight:
189.2536
IUPAC Name:
5-(3-methoxyphenyl)-1,2,3,6-tetrahydropyridine
InChI:
InChI=1S/C12H15NO/c1-14-12-6-2-4-10(8-12)11-5-3-7-13-9-11/h2,4-6,8,13H,3,7,9H2,1H3
InChI Key:
YHOOHZTUBROZFM-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)C1=CCCNC1
Properties
Complexity:
212
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:
1
Isotope Atom Count:
0
Molecular Weight:
189.258g/mol
Monoisotopic Mass:
189.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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