Home Carboxys methyl1-benzyl-5-hydroxy-1,2,5,6-tetrahydropyridine-3-carboxylate-M28361

methyl1-benzyl-5-hydroxy-1,2,5,6-tetrahydropyridine-3-carboxylate-M28361

CAS No.:
1452109-40-8
Catalog Number:
AG019G3R
Molecular Formula:
C14H17NO3
Molecular Weight:
247.2897
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Product Description
Catalog Number:
AG019G3R
Chemical Name:
methyl1-benzyl-5-hydroxy-1,2,5,6-tetrahydropyridine-3-carboxylate-M28361
CAS Number:
1452109-40-8
Molecular Formula:
C14H17NO3
Molecular Weight:
247.2897
MDL Number:
MFCD28016251
IUPAC Name:
methyl 1-benzyl-3-hydroxy-3,6-dihydro-2H-pyridine-5-carboxylate
InChI:
InChI=1S/C14H17NO3/c1-18-14(17)12-7-13(16)10-15(9-12)8-11-5-3-2-4-6-11/h2-7,13,16H,8-10H2,1H3
InChI Key:
OXDTUIMTHYQYDV-UHFFFAOYSA-N
SMILES:
COC(=O)C1=CC(CN(C1)Cc1ccccc1)O
Properties
Complexity:
321  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.121g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
247.294g/mol
Monoisotopic Mass:
247.121g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties