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1256633-36-9 | Imidazo[1,5-a]pyrazine-1-carboxylic acid, 7,8-dihydro-8-oxo-, ethyl ester
CAS No: 1256633-36-9 Catalog No: AG000OB3 MDL No:
Product Description
Catalog Number:
AG000OB3
Chemical Name:
Imidazo[1,5-a]pyrazine-1-carboxylic acid, 7,8-dihydro-8-oxo-, ethyl ester
CAS Number:
1256633-36-9
Molecular Formula:
C9H9N3O3
Molecular Weight:
207.1861
IUPAC Name:
ethyl 8-oxo-7H-imidazo[1,5-a]pyrazine-1-carboxylate
InChI:
InChI=1S/C9H9N3O3/c1-2-15-9(14)6-7-8(13)10-3-4-12(7)5-11-6/h3-5H,2H2,1H3,(H,10,13)
InChI Key:
ZBSXWXNJCBGYKO-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ncn2c1c(=O)[nH]cc2
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.064g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.189g/mol
Monoisotopic Mass:
207.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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