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89690-72-2 | 1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-4-(phenylthio)-, ethyl ester
CAS No: 89690-72-2 Catalog No: AG0042X8 MDL No:
Product Description
Catalog Number:
AG0042X8
Chemical Name:
1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-4-(phenylthio)-, ethyl ester
CAS Number:
89690-72-2
Molecular Formula:
C14H17NO2S
Molecular Weight:
263.3553
IUPAC Name:
ethyl 4-phenylsulfanyl-3,4-dihydro-2H-pyridine-1-carboxylate
InChI:
InChI=1S/C14H17NO2S/c1-2-17-14(16)15-10-8-13(9-11-15)18-12-6-4-3-5-7-12/h3-8,10,13H,2,9,11H2,1H3
InChI Key:
ZNQXPEWBVYOAKJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)N1CCC(C=C1)Sc1ccccc1
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.098g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.355g/mol
Monoisotopic Mass:
263.098g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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