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1159982-41-8 | 3-Pyridinecarboxylic acid, 1,2,5,6-tetrahydro-1-(phenylmethyl)-, ethyl ester
CAS No: 1159982-41-8 Catalog No: AG000HFA MDL No:MFCD01365980
Product Description
Catalog Number:
AG000HFA
Chemical Name:
3-Pyridinecarboxylic acid, 1,2,5,6-tetrahydro-1-(phenylmethyl)-, ethyl ester
CAS Number:
1159982-41-8
Molecular Formula:
C15H19NO2
Molecular Weight:
245.3169
MDL Number:
MFCD01365980
IUPAC Name:
ethyl 1-benzyl-3,6-dihydro-2H-pyridine-5-carboxylate
InChI:
InChI=1S/C15H19NO2/c1-2-18-15(17)14-9-6-10-16(12-14)11-13-7-4-3-5-8-13/h3-5,7-9H,2,6,10-12H2,1H3
InChI Key:
GATVCEPLAPUOKG-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1=CCCN(C1)Cc1ccccc1
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.142g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.322g/mol
Monoisotopic Mass:
245.142g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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