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94427-39-1 | 4-(3,4-dimethoxyphenyl)-1,2,3,6-tetrahydropyridine
CAS No: 94427-39-1 Catalog No: AG01AES0 MDL No:MFCD11128350
Product Description
Catalog Number:
AG01AES0
Chemical Name:
4-(3,4-dimethoxyphenyl)-1,2,3,6-tetrahydropyridine
CAS Number:
94427-39-1
Molecular Formula:
C13H17NO2
Molecular Weight:
219.2796
MDL Number:
MFCD11128350
IUPAC Name:
4-(3,4-dimethoxyphenyl)-1,2,3,6-tetrahydropyridine
InChI:
InChI=1S/C13H17NO2/c1-15-12-4-3-11(9-13(12)16-2)10-5-7-14-8-6-10/h3-5,9,14H,6-8H2,1-2H3
InChI Key:
LBRPLHNBPFDAHO-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)C1=CCNCC1
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.284g/mol
Monoisotopic Mass:
219.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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