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130443-94-6 | 2,6-Pyrazinedimethanol, α6-(hydroxymethyl)-3-methyl-
CAS No: 130443-94-6 Catalog No: AG000UFJ MDL No:
Product Description
Catalog Number:
AG000UFJ
Chemical Name:
2,6-Pyrazinedimethanol, α6-(hydroxymethyl)-3-methyl-
CAS Number:
130443-94-6
Molecular Formula:
C8H12N2O3
Molecular Weight:
184.1925
IUPAC Name:
1-[6-(hydroxymethyl)-5-methylpyrazin-2-yl]ethane-1,2-diol
InChI:
InChI=1S/C8H12N2O3/c1-5-7(3-11)10-6(2-9-5)8(13)4-12/h2,8,11-13H,3-4H2,1H3
InChI Key:
DJJBNTWELRNHBO-UHFFFAOYSA-N
SMILES:
OCC(c1cnc(c(n1)CO)C)O
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.085g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
184.195g/mol
Monoisotopic Mass:
184.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.2
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