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918322-18-6 | Quinolinium, 1-[3-butoxy-2-(hydroxyimino)-3-oxopropyl]-
CAS No: 918322-18-6 Catalog No: AG006T1H MDL No:
Product Description
Catalog Number:
AG006T1H
Chemical Name:
Quinolinium, 1-[3-butoxy-2-(hydroxyimino)-3-oxopropyl]-
CAS Number:
918322-18-6
Molecular Formula:
C16H19N2O3+
Molecular Weight:
287.3337
IUPAC Name:
butyl 2-hydroxyimino-3-quinolin-1-ium-1-ylpropanoate
InChI:
InChI=1S/C16H18N2O3/c1-2-3-11-21-16(19)14(17-20)12-18-10-6-8-13-7-4-5-9-15(13)18/h4-10H,2-3,11-12H2,1H3/p+1
InChI Key:
CCBROZYLJDXSKJ-UHFFFAOYSA-O
SMILES:
CCCCOC(=O)C(=NO)C[n+]1cccc2c1cccc2
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.14g/mol
Formal Charge:
1
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
287.339g/mol
Monoisotopic Mass:
287.14g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.3
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