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6950-04-5 | 1 2-DI-(4-PYRIDYL)-1 2-ETHANEDIOL
CAS No: 6950-04-5 Catalog No: AG00FA2L MDL No:MFCD00068335
Product Description
Catalog Number:
AG00FA2L
Chemical Name:
1 2-DI-(4-PYRIDYL)-1 2-ETHANEDIOL
CAS Number:
6950-04-5
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
MDL Number:
MFCD00068335
IUPAC Name:
1,2-dipyridin-4-ylethane-1,2-diol
InChI:
InChI=1S/C12H12N2O2/c15-11(9-1-5-13-6-2-9)12(16)10-3-7-14-8-4-10/h1-8,11-12,15-16H
InChI Key:
DHKSJSQSVHHBPH-UHFFFAOYSA-N
SMILES:
OC(C(c1ccncc1)O)c1ccncc1
EC Number:
230-120-0
NSC Number:
26025
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
216.24g/mol
Monoisotopic Mass:
216.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
Literature
| Title | Journal |
|---|---|
| Systematic evaluation of textural properties, activation temperature and gas uptake of Cu2(pzdc)2L [L = dipyridyl-based ligands] porous coordination pillared-layer networks. | Dalton transactions (Cambridge, England : 2003) 20120807 |
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