2,4(1H,3H)-Pteridinedione, 1-(acetyloxy)-
Basic information
- CAS
37440-28-1- Standard SMILES
CC(=O)On1c(=O)[nH]c(=O)c2nccnc21- InChIKey
URLIIFBREGVBMU-UHFFFAOYSA-N- Molecular formula
- C8H6N4O4
- Average molar mass
- 222.16 g/mol
- Monoisotopic mass
- 222.03890469
Names & identifiers
- Preferred name
- 2,4(1H,3H)-Pteridinedione, 1-(acetyloxy)-
- IUPAC
- (2,4-dioxopteridin-1-yl) acetate
Names & synonyms
37440-28-12,4(1H,3H)-Pteridinedione, 1-(acetyloxy)-DTXSID209585394-Hydroxy-2-oxopteridin-1(2H)-yl acetate1-(Acetyloxy)-4-hydroxypteridin-2(1H)-one
Database identifiers
- CAS
37440-28-1- PubChem CID
- 189976
- DTXSID
DTXSID20958539
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 345
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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