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59954-73-3 | 4-(4-METHOXY-PHENYL)-1,2,3,6-TETRAHYDRO-PYRIDINE
CAS No: 59954-73-3 Catalog No: AG00EB8A MDL No:MFCD08689309
Product Description
Catalog Number:
AG00EB8A
Chemical Name:
4-(4-METHOXY-PHENYL)-1,2,3,6-TETRAHYDRO-PYRIDINE
CAS Number:
59954-73-3
Molecular Formula:
C12H15NO
Molecular Weight:
189.2536
MDL Number:
MFCD08689309
IUPAC Name:
4-(4-methoxyphenyl)-1,2,3,6-tetrahydropyridine
InChI:
InChI=1S/C12H15NO/c1-14-12-4-2-10(3-5-12)11-6-8-13-9-7-11/h2-6,13H,7-9H2,1H3
InChI Key:
XWENGDIACIBQQL-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C1=CCNCC1
Properties
Complexity:
204
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:
2.2
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