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17795-21-0 | 4H-Pyrazolo[3,4-d]pyrimidin-4-one, 1,5-dihydro-, sodium salt (1:1)
CAS No: 17795-21-0 Catalog No: AG0025NB MDL No:MFCD18384982
Product Description
Catalog Number:
AG0025NB
Chemical Name:
4H-Pyrazolo[3,4-d]pyrimidin-4-one, 1,5-dihydro-, sodium salt (1:1)
CAS Number:
17795-21-0
Molecular Formula:
C5H4N4NaO
Molecular Weight:
159.1012
MDL Number:
MFCD18384982
IUPAC Name:
sodium;1H-pyrazolo[3,4-d]pyrimidin-4-olate
InChI:
InChI=1S/C5H4N4O.Na/c10-5-3-1-8-9-4(3)6-2-7-5;/h1-2H,(H2,6,7,8,9,10);/q;+1/p-1
InChI Key:
PTJRZVJXXNYNLN-UHFFFAOYSA-M
SMILES:
O=c1[nH]cnc2c1cn[nH]2.[Na]
EC Number:
241-771-5
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.02g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
158.096g/mol
Monoisotopic Mass:
158.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
77.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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