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88974-04-3 | 2,4-Hexadienamide, N-(4-pyridinylmethyl)-, (E,E)-
CAS No: 88974-04-3 Catalog No: AG0045RJ MDL No:
Product Description
Catalog Number:
AG0045RJ
Chemical Name:
2,4-Hexadienamide, N-(4-pyridinylmethyl)-, (E,E)-
CAS Number:
88974-04-3
Molecular Formula:
C12H14N2O
Molecular Weight:
202.2524
IUPAC Name:
N-(pyridin-4-ylmethyl)hexa-2,4-dienamide
InChI:
InChI=1S/C12H14N2O/c1-2-3-4-5-12(15)14-10-11-6-8-13-9-7-11/h2-9H,10H2,1H3,(H,14,15)
InChI Key:
MKVWXXMAMAFQPA-UHFFFAOYSA-N
SMILES:
C/C=C/C=C/C(=O)NCc1ccncc1
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.111g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.257g/mol
Monoisotopic Mass:
202.111g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
1.4
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