Compound at v1.0.0
2519
b24048b9d338b132223af590057e09527f1efa949d59ec933b112ad3a447523f · where else it appears
Data
{
"cid": 2519,
"exactMass": 194.08037557,
"hBondAcceptors": 3,
"hBondDonors": 0,
"inchiKey": "RYYVLZVUVIJVGH-UHFFFAOYSA-N",
"iupacName": "1,3,7-trimethylpurine-2,6-dione",
"molecularFormula": "C8H10N4O2",
"molecularWeight": 194.19,
"name": "caffeine",
"pubchemUrl": "https://pubchem.ncbi.nlm.nih.gov/compound/2519",
"rotatableBonds": 0,
"smiles": null,
"xLogP": -0.1
}History in this collection
- addedv1.0.0Jun 12, 2026this version