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Home > Pyridines > 338414-03-2
338414-03-2 | (2E)-2-[2-(4-methylphenyl)hydrazin-1-ylidene]-3-oxo-3-(pyridin-4-yl)propanal
CAS No: 338414-03-2 Catalog No: AG00ISSL MDL No:MFCD00975104
Product Description
Catalog Number:
AG00ISSL
Chemical Name:
(2E)-2-[2-(4-methylphenyl)hydrazin-1-ylidene]-3-oxo-3-(pyridin-4-yl)propanal
CAS Number:
338414-03-2
Molecular Formula:
C15H13N3O2
Molecular Weight:
267.2826
MDL Number:
MFCD00975104
IUPAC Name:
3-hydroxy-2-[(4-methylphenyl)diazenyl]-1-pyridin-4-ylprop-2-en-1-one
InChI:
InChI=1S/C15H13N3O2/c1-11-2-4-13(5-3-11)17-18-14(10-19)15(20)12-6-8-16-9-7-12/h2-10,19H,1H3
InChI Key:
QLFXYPNRBDJTDO-UHFFFAOYSA-N
SMILES:
O=C/C(=N\Nc1ccc(cc1)C)/C(=O)c1ccncc1
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.101g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.288g/mol
Monoisotopic Mass:
267.101g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
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