3575f2ecc6afbf3e…

Compound
ID: 3672392 bytesFirst seen Jun 12, 20261 collection

Fields

NameValue
cid3672
exactMass206.130679813
hBondAcceptors2
hBondDonors1
inchiKeyHEFNNWSXXWATRW-UHFFFAOYSA-N
iupacName2-[4-(2-methylpropyl)phenyl]propanoic acid
molecularFormulaC13H18O2
molecularWeight206.28
name58560-75-1
pubchemUrlhttps://pubchem.ncbi.nlm.nih.gov/compound/3672
rotatableBonds4
smilesnull
xLogP3.5

Canonical JSON

{
  "id": "3672",
  "type": "Compound",
  "data": {
    "cid": 3672,
    "exactMass": 206.130679813,
    "hBondAcceptors": 2,
    "hBondDonors": 1,
    "inchiKey": "HEFNNWSXXWATRW-UHFFFAOYSA-N",
    "iupacName": "2-[4-(2-methylpropyl)phenyl]propanoic acid",
    "molecularFormula": "C13H18O2",
    "molecularWeight": 206.28,
    "name": "58560-75-1",
    "pubchemUrl": "https://pubchem.ncbi.nlm.nih.gov/compound/3672",
    "rotatableBonds": 4,
    "smiles": null,
    "xLogP": 3.5
  }
}

Appears in 1 collection

nih/pubchem-compounds1 version · Jun 12, 2026
v1.0.0

Full hash:3575f2ecc6afbf3e1302ecf94578bdc86792cbcb728b9794665fe34080a8c28e