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87597-25-9 | 4H-Pyrrolo[2,3-b]pyrazine-6-carboxylic acid, 7-methyl-, ethyl ester
CAS No: 87597-25-9 Catalog No: AG004PJX MDL No:
Product Description
Catalog Number:
AG004PJX
Chemical Name:
4H-Pyrrolo[2,3-b]pyrazine-6-carboxylic acid, 7-methyl-, ethyl ester
CAS Number:
87597-25-9
Molecular Formula:
C10H11N3O2
Molecular Weight:
205.2132
IUPAC Name:
ethyl 7-methyl-5H-pyrrolo[2,3-b]pyrazine-6-carboxylate
InChI:
InChI=1S/C10H11N3O2/c1-3-15-10(14)8-6(2)7-9(13-8)12-5-4-11-7/h4-5H,3H2,1-2H3,(H,12,13)
InChI Key:
SSAIXGZDMJDJMZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nc2c(c1C)ncc[nH]2
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.085g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.217g/mol
Monoisotopic Mass:
205.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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