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1256633-37-0 | Imidazo[1,5-a]pyrazine-1-carboxylic acid, 7,8-dihydro-5-hydroxy-8-oxo-, ethyl ester
CAS No: 1256633-37-0 Catalog No: AG000OB2 MDL No:MFCD18071049
Product Description
Catalog Number:
AG000OB2
Chemical Name:
Imidazo[1,5-a]pyrazine-1-carboxylic acid, 7,8-dihydro-5-hydroxy-8-oxo-, ethyl ester
CAS Number:
1256633-37-0
Molecular Formula:
C9H9N3O4
Molecular Weight:
223.1855
MDL Number:
MFCD18071049
IUPAC Name:
ethyl 5-hydroxy-8-oxo-7H-imidazo[1,5-a]pyrazine-1-carboxylate
InChI:
InChI=1S/C9H9N3O4/c1-2-16-9(15)6-7-8(14)10-3-5(13)12(7)4-11-6/h3-4,13H,2H2,1H3,(H,10,14)
InChI Key:
NBYYKFHBZUQTIU-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ncn2c1c(=O)[nH]cc2O
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.059g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
223.188g/mol
Monoisotopic Mass:
223.059g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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