779a66def272d78a…

Compound
ID: 180352 bytesFirst seen Jun 12, 20261 collection

Fields

NameValue
cid180
exactMass58.041864811
hBondAcceptors1
hBondDonors0
inchiKeyCSCPPACGZOOCGX-UHFFFAOYSA-N
iupacNamepropan-2-one
molecularFormulaC3H6O
molecularWeight58.08
nameacetone
pubchemUrlhttps://pubchem.ncbi.nlm.nih.gov/compound/180
rotatableBonds0
smilesnull
xLogP-0.1

Canonical JSON

{
  "id": "180",
  "type": "Compound",
  "data": {
    "cid": 180,
    "exactMass": 58.041864811,
    "hBondAcceptors": 1,
    "hBondDonors": 0,
    "inchiKey": "CSCPPACGZOOCGX-UHFFFAOYSA-N",
    "iupacName": "propan-2-one",
    "molecularFormula": "C3H6O",
    "molecularWeight": 58.08,
    "name": "acetone",
    "pubchemUrl": "https://pubchem.ncbi.nlm.nih.gov/compound/180",
    "rotatableBonds": 0,
    "smiles": null,
    "xLogP": -0.1
  }
}

Appears in 1 collection

nih/pubchem-compounds1 version · Jun 12, 2026

Full hash:779a66def272d78a6867ad2308919b731aeb4c49459cb5e422ff3a45f0938fd5