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(Q107910017)
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English
2-chloro-9-(2-hydroxyethoxymethyl)-3H-purin-6-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
244.036317828
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₈H₉ClN₄O₃
1 reference
PubChem CID
12899587
retrieved
12 June 2021
canonical SMILES
C1=NC2=C(N1COCCO)NC(=NC2=O)Cl
1 reference
PubChem CID
12899587
retrieved
12 June 2021
melting point
310±0
degree Celsius
1 reference
stated in
Melting Point and Pyrolysis Point Data for Tens of Thousands of Chemicals
Identifiers
InChI
InChI=1S/C8H9ClN4O3/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14/h3,14H,1-2,4H2,(H,11,12,15)
1 reference
PubChem CID
12899587
retrieved
12 June 2021
InChIKey
RWCYGLJSLQIGDH-UHFFFAOYSA-N
1 reference
PubChem CID
12899587
retrieved
12 June 2021
CAS Registry Number
59277-90-6
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
12899587
1 reference
retrieved
12 June 2021
DSSTox substance ID
DTXSID401175731
1 reference
matched by identifier from
InChIKey
InChIKey
RWCYGLJSLQIGDH-UHFFFAOYSA-N
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