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94744-34-0 | Pyridine, 1-acetyl-1,4-dihydro-4-(5-oxo-4(5H)-oxazolylidene)-
CAS No: 94744-34-0 Catalog No: AG005VA2 MDL No:
Product Description
Catalog Number:
AG005VA2
Chemical Name:
Pyridine, 1-acetyl-1,4-dihydro-4-(5-oxo-4(5H)-oxazolylidene)-
CAS Number:
94744-34-0
Molecular Formula:
C10H8N2O3
Molecular Weight:
204.1821
IUPAC Name:
4-(1-acetylpyridin-4-ylidene)-1,3-oxazol-5-one
InChI:
InChI=1S/C10H8N2O3/c1-7(13)12-4-2-8(3-5-12)9-10(14)15-6-11-9/h2-6H,1H3
InChI Key:
ZGSMRZNDXWKYPG-UHFFFAOYSA-N
SMILES:
O=C1OC=NC1=c1ccn(cc1)C(=O)C
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.053g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.185g/mol
Monoisotopic Mass:
204.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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