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78886-41-6 | ethyl N-[[(E)-[5-(hydroxymethyl)-2-methyl-3-oxo-pyridin-4-ylidene]methyl]amino]carbamate
CAS No: 78886-41-6 Catalog No: AG005500 MDL No:
Product Description
Catalog Number:
AG005500
Chemical Name:
ethyl N-[[(E)-[5-(hydroxymethyl)-2-methyl-3-oxo-pyridin-4-ylidene]methyl]amino]carbamate
CAS Number:
78886-41-6
Molecular Formula:
C11H15N3O4
Molecular Weight:
253.2545
IUPAC Name:
ethyl N-[(E)-[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methylideneamino]carbamate
InChI:
InChI=1S/C11H15N3O4/c1-3-18-11(17)14-13-5-9-8(6-15)4-12-7(2)10(9)16/h4-5,15-16H,3,6H2,1-2H3,(H,14,17)/b13-5+
InChI Key:
USRCVSGDXOOXKM-WLRTZDKTSA-N
SMILES:
CCOC(=O)NN/C=C/1\C(=CN=C(C1=O)C)CO
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
253.106g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
253.258g/mol
Monoisotopic Mass:
253.106g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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