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121750-61-6 | 1(2H)-Pyridinecarboxylic acid, 3,6-dihydro-5-[(methoxyimino)methyl]-, 2-propen-1-yl ester
CAS No: 121750-61-6 Catalog No: AG0015PQ MDL No:
Product Description
Catalog Number:
AG0015PQ
Chemical Name:
1(2H)-Pyridinecarboxylic acid, 3,6-dihydro-5-[(methoxyimino)methyl]-, 2-propen-1-yl ester
CAS Number:
121750-61-6
Molecular Formula:
C11H16N2O3
Molecular Weight:
224.2563
IUPAC Name:
prop-2-enyl 5-(methoxyiminomethyl)-3,6-dihydro-2H-pyridine-1-carboxylate
InChI:
InChI=1S/C11H16N2O3/c1-3-7-16-11(14)13-6-4-5-10(9-13)8-12-15-2/h3,5,8H,1,4,6-7,9H2,2H3
InChI Key:
FIBWODBLQWJUIU-UHFFFAOYSA-N
SMILES:
C=CCOC(=O)N1CCC=C(C1)C=NOC
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.116g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.26g/mol
Monoisotopic Mass:
224.116g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
51.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.2
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