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4972-49-0 | trans-1,2-di(pyridin-4-yl);ethane-1,2-diol
CAS No: 4972-49-0 Catalog No: AG003RHC MDL No:MFCD00023627
Product Description
Catalog Number:
AG003RHC
Chemical Name:
trans-1,2-di(pyridin-4-yl);ethane-1,2-diol
CAS Number:
4972-49-0
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
MDL Number:
MFCD00023627
IUPAC Name:
(1R,2S)-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/t11-,12+
InChI Key:
DHKSJSQSVHHBPH-TXEJJXNPSA-N
SMILES:
O[C@H]([C@@H](c1ccncc1)O)c1ccncc1
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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