Succinylacetone

C7H10O4CAS 51568-18-4158.15 g/mol

Open in Covalent MOL file
OOOOH
Carboxylic acidKetone

Properties

Molecular formula
C7H10O4
Molar mass
158.15 g/mol
Exact mass
158.0579 Da
Melting point
66–67 °C
logP
0.40Crippen estimate
Polar surface area
71.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
5

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 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
51568-18-4
SMILES
CC(=O)CC(=O)CCC(=O)O
InChIKey
WYEPBHZLDUPIOD-UHFFFAOYSA-N
InChI
InChI=1S/C7H10O4/c1-5(8)4-6(9)2-3-7(10)11/h2-4H2,1H3,(H,10,11)

Weigh it out

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

Names and synonyms

3 names
  • Heptanoic acid, 4,6-dioxo-
  • 4,6-Dioxoheptanoic acid
  • NSC 174804

Work with Succinylacetone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Levulinic acid123-76-265 % similar β-Ketoadipic acid689-31-665 % similar 5-Oxohexanoic acid3128-06-155 % similar 6-Oxoheptanoic acid3128-07-255 % similar 5-Aminolevulinic acid106-60-550 % similar Succinic acid110-15-650 % similar 2,4-Nonanedione6175-23-150 % similar 2,4-Hexanedione3002-24-248 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

trans-1,2-Cyclopentanedicarboxylic acid1461-97-8 2,2,5-Trimethyl-1,3-dioxane-4,6-dione3709-18-0 1,3-Cyclopentanedicarboxylic acid4056-78-4 Methyl 2-acetyl-3-oxobutanoate4619-66-3 Ethyl 2,4-dioxovalerate615-79-2 Dimethyl itaconate617-52-7 Dimethyl 1,1-cyclopropanedicarboxylate6914-71-2 Allylidene diacetate869-29-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia