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1398534-62-7 | 4-Pyridinepropanoic acid, 1,2,3,6-tetrahydro-1-(phenylmethyl)-, methyl ester
CAS No: 1398534-62-7 Catalog No: AG001BR4 MDL No:MFCD22423106
Product Description
Catalog Number:
AG001BR4
Chemical Name:
4-Pyridinepropanoic acid, 1,2,3,6-tetrahydro-1-(phenylmethyl)-, methyl ester
CAS Number:
1398534-62-7
Molecular Formula:
C16H21NO2
Molecular Weight:
259.3434
MDL Number:
MFCD22423106
IUPAC Name:
methyl 3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)propanoate
InChI:
InChI=1S/C16H21NO2/c1-19-16(18)8-7-14-9-11-17(12-10-14)13-15-5-3-2-4-6-15/h2-6,9H,7-8,10-13H2,1H3
InChI Key:
OJEAIPGFIXPUDP-UHFFFAOYSA-N
SMILES:
COC(=O)CCC1=CCN(CC1)Cc1ccccc1
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.157g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.349g/mol
Monoisotopic Mass:
259.157g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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