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1220330-11-9 | 2-Pyrazinecarboxylic acid, 5-ethoxy-
CAS No: 1220330-11-9 Catalog No: AG0016NL MDL No:MFCD20284623
Product Description
Catalog Number:
AG0016NL
Chemical Name:
2-Pyrazinecarboxylic acid, 5-ethoxy-
CAS Number:
1220330-11-9
Molecular Formula:
C7H8N2O3
Molecular Weight:
168.1500
MDL Number:
MFCD20284623
IUPAC Name:
5-ethoxypyrazine-2-carboxylic acid
InChI:
InChI=1S/C7H8N2O3/c1-2-12-6-4-8-5(3-9-6)7(10)11/h3-4H,2H2,1H3,(H,10,11)
InChI Key:
LQMBFTKKBNTWEF-UHFFFAOYSA-N
SMILES:
CCOc1cnc(cn1)C(=O)O
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:
0.3
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