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114072-02-5 | 2-Pyrimidineethanol
CAS No: 114072-02-5 Catalog No: AG000AGJ MDL No:MFCD09926219
Product Description
Catalog Number:
AG000AGJ
Chemical Name:
2-Pyrimidineethanol
CAS Number:
114072-02-5
Molecular Formula:
C6H8N2O
Molecular Weight:
124.1405
MDL Number:
MFCD09926219
IUPAC Name:
2-pyrimidin-2-ylethanol
InChI:
InChI=1S/C6H8N2O/c9-5-2-6-7-3-1-4-8-6/h1,3-4,9H,2,5H2
InChI Key:
YYIWCGLAEFPUFI-UHFFFAOYSA-N
SMILES:
OCCc1ncccn1
Properties
Complexity:
71.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.064g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
124.143g/mol
Monoisotopic Mass:
124.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
Literature
| Title | Journal |
|---|---|
| Synthesis and spectral characterization of new bis(2-(pyrimidin-2-yl)ethoxy)alkanes and their pharmacological activity. | Archiv der Pharmazie 20120801 |
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