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89566-81-4 | 2-Propen-1-one, 1-(4-pyridinyl)-3-(2-thienyl)-, oxime
CAS No: 89566-81-4 Catalog No: AG003Y3L MDL No:
Product Description
Catalog Number:
AG003Y3L
Chemical Name:
2-Propen-1-one, 1-(4-pyridinyl)-3-(2-thienyl)-, oxime
CAS Number:
89566-81-4
Molecular Formula:
C12H10N2OS
Molecular Weight:
230.2856
IUPAC Name:
N-(1-pyridin-4-yl-3-thiophen-2-ylprop-2-enylidene)hydroxylamine
InChI:
InChI=1S/C12H10N2OS/c15-14-12(10-5-7-13-8-6-10)4-3-11-2-1-9-16-11/h1-9,15H
InChI Key:
NGBJOJGPTLIQTB-UHFFFAOYSA-N
SMILES:
ON=C(c1ccncc1)C=Cc1cccs1
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.051g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.285g/mol
Monoisotopic Mass:
230.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
73.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
2.6
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