Home Carboxys methyl 5-(hydroxymethyl)pyrazine-2-carboxylate

methyl 5-(hydroxymethyl)pyrazine-2-carboxylate

CAS No.:
1262803-64-4
Catalog Number:
AG009GFQ
Molecular Formula:
C7H8N2O3
Molecular Weight:
168.1500
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Product Description
Catalog Number:
AG009GFQ
Chemical Name:
methyl 5-(hydroxymethyl)pyrazine-2-carboxylate
CAS Number:
1262803-64-4
Molecular Formula:
C7H8N2O3
Molecular Weight:
168.1500
MDL Number:
MFCD22572544
IUPAC Name:
methyl 5-(hydroxymethyl)pyrazine-2-carboxylate
InChI:
InChI=1S/C7H8N2O3/c1-12-7(11)6-3-8-5(4-10)2-9-6/h2-3,10H,4H2,1H3
InChI Key:
CCQQDZWMZNJQFH-UHFFFAOYSA-N
SMILES:
COC(=O)c1cnc(cn1)CO
Properties
Complexity:
163  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.053g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
168.152g/mol
Monoisotopic Mass:
168.053g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
72.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1  
Properties