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54495-51-1 | 3-(pyridin-2-yl)prop-2-enoic acid, E
CAS No: 54495-51-1 Catalog No: AG019URR MDL No:MFCD00179422
Product Description
Catalog Number:
AG019URR
Chemical Name:
3-(pyridin-2-yl)prop-2-enoic acid, E
CAS Number:
54495-51-1
Molecular Formula:
C8H7NO2
Molecular Weight:
149.1467
MDL Number:
MFCD00179422
IUPAC Name:
3-pyridin-2-ylprop-2-enoic acid
InChI:
InChI=1S/C8H7NO2/c10-8(11)5-4-7-3-1-2-6-9-7/h1-6H,(H,10,11)
InChI Key:
LKDFTXDJKHGCAC-UHFFFAOYSA-N
SMILES:
OC(=O)C=Cc1ccccn1
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.048g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
149.149g/mol
Monoisotopic Mass:
149.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| Poly[{μ(3)-3-[4-(1H-imidazol-1-yl-methyl)phen-yl]prop-2-enoato-κN:η:κO}copper(I)]. | Acta crystallographica. Section E, Structure reports online 20110501 |
| An unusual mixed-valence Cu(I)-Cu(II) 3-D framework. | Inorganic chemistry 20040322 |
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