1,3-Cyclopentanedione

C5H6O2CAS 3859-41-498.10 g/mol

OO
Ketone

Properties

Molecular formula
C5H6O2
Molar mass
98.10 g/mol
Exact mass
98.0368 Da
Melting point
177 °C
logP
0.31Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
3859-41-4
SMILES
O=C1CCC(=O)C1
InChIKey
LOGSONSNCYTHPS-UHFFFAOYSA-N
InChI
InChI=1S/C5H6O2/c6-4-1-2-5(7)3-4/h1-3H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

2 names
  • 1,3-Cyclopentadione
  • NSC 364015

Work with 1,3-Cyclopentanedione

Similar compounds

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Elsewhere