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Home > Pyridines > 478261-05-1
478261-05-1 | (2E)-2-(5-acetylthiophen-2-yl)-3-(pyridin-4-yl)prop-2-enenitrile
CAS No: 478261-05-1 Catalog No: AG00ISQ6 MDL No:MFCD00665121
Product Description
Catalog Number:
AG00ISQ6
Chemical Name:
(2E)-2-(5-acetylthiophen-2-yl)-3-(pyridin-4-yl)prop-2-enenitrile
CAS Number:
478261-05-1
Molecular Formula:
C14H10N2OS
Molecular Weight:
254.3070
MDL Number:
MFCD00665121
IUPAC Name:
2-(5-acetylthiophen-2-yl)-3-pyridin-4-ylprop-2-enenitrile
InChI:
InChI=1S/C14H10N2OS/c1-10(17)13-2-3-14(18-13)12(9-15)8-11-4-6-16-7-5-11/h2-8H,1H3
InChI Key:
DIJQYQNOAFZYBN-UHFFFAOYSA-N
SMILES:
N#C/C(=C\c1ccncc1)/c1ccc(s1)C(=O)C
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.051g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.307g/mol
Monoisotopic Mass:
254.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
82A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.4
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