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145071-38-1 | 1(2H)-Pyridinecarboxylic acid, 3,6-dihydro-5-[(methoxyimino)methyl]-, 2-phenylethyl ester, (E)- (9CI)
CAS No: 145071-38-1 Catalog No: AG001KJN MDL No:
Product Description
Catalog Number:
AG001KJN
Chemical Name:
1(2H)-Pyridinecarboxylic acid, 3,6-dihydro-5-[(methoxyimino)methyl]-, 2-phenylethyl ester, (E)- (9CI)
CAS Number:
145071-38-1
Molecular Formula:
C16H20N2O3
Molecular Weight:
288.3416
IUPAC Name:
2-phenylethyl 5-[(E)-methoxyiminomethyl]-3,6-dihydro-2H-pyridine-1-carboxylate
InChI:
InChI=1S/C16H20N2O3/c1-20-17-12-15-8-5-10-18(13-15)16(19)21-11-9-14-6-3-2-4-7-14/h2-4,6-8,12H,5,9-11,13H2,1H3/b17-12+
InChI Key:
JDOQFCLBKHCQSK-SFQUDFHCSA-N
SMILES:
CO/N=C/C1=CCCN(C1)C(=O)OCCc1ccccc1
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
288.147g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.347g/mol
Monoisotopic Mass:
288.147g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
51.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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