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Home > Pyridines > 101084-12-2
101084-12-2 | Phosphonic acid, P-[2-(2-pyridinyl)ethyl]-
CAS No: 101084-12-2 Catalog No: AG0003PH MDL No:
Product Description
Catalog Number:
AG0003PH
Chemical Name:
Phosphonic acid, P-[2-(2-pyridinyl)ethyl]-
CAS Number:
101084-12-2
Molecular Formula:
C7H10NO3P
Molecular Weight:
187.1330
IUPAC Name:
2-pyridin-2-ylethylphosphonic acid
InChI:
InChI=1S/C7H10NO3P/c9-12(10,11)6-4-7-3-1-2-5-8-7/h1-3,5H,4,6H2,(H2,9,10,11)
InChI Key:
IMDMRSKUJKZQQE-UHFFFAOYSA-N
SMILES:
OP(=O)(CCc1ccccn1)O
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.04g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
187.135g/mol
Monoisotopic Mass:
187.04g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
Literature
| Title | Journal |
|---|---|
| Inhibition of 1-deoxy-D-xylulose-5-phosphate reductoisomerase by lipophilic phosphonates: SAR, QSAR, and crystallographic studies. | Journal of medicinal chemistry 20110714 |
| An NMR investigation of the conformational equilibria of 2-(2'-pyridyl)ethylphosphonic acid in several solvents. | Chirality 20020101 |
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