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1159694-57-1 | 4-Pyridinecarboxylic acid, 1,2,3,6-tetrahydro-5-hydroxy-1-(phenylmethyl)-, ethyl ester, hydrochloride (1:1)
CAS No: 1159694-57-1 Catalog No: AG000H86 MDL No:
Product Description
Catalog Number:
AG000H86
Chemical Name:
4-Pyridinecarboxylic acid, 1,2,3,6-tetrahydro-5-hydroxy-1-(phenylmethyl)-, ethyl ester, hydrochloride (1:1)
CAS Number:
1159694-57-1
Molecular Formula:
C15H20ClNO3
Molecular Weight:
297.7772
IUPAC Name:
ethyl 1-benzyl-5-hydroxy-3,6-dihydro-2H-pyridine-4-carboxylate;hydrochloride
InChI:
InChI=1S/C15H19NO3.ClH/c1-2-19-15(18)13-8-9-16(11-14(13)17)10-12-6-4-3-5-7-12;/h3-7,17H,2,8-11H2,1H3;1H
InChI Key:
TUYUAILPTOOTCU-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1=C(O)CN(CC1)Cc1ccccc1.Cl
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.113g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
297.779g/mol
Monoisotopic Mass:
297.113g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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