chempirical

Glutaconic acid

C5H6O4CAS 1724-02-3130.10 g/mol

Open in Covalent MOL file
OHOOOH
AlkeneCarboxylic acid

Properties

Molecular formula
C5H6O4
Molar mass
130.10 g/mol
Exact mass
130.0266 Da
Melting point
130–134 °C
logP
0.10Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
1724-02-3
SMILES
O=C(O)C=CCC(=O)O
InChIKey
XVOUMQNXTGKGMA-UHFFFAOYSA-N
InChI
InChI=1S/C5H6O4/c6-4(7)2-1-3-5(8)9/h1-2H,3H2,(H,6,7)(H,8,9)

Weigh it out

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

Names and synonyms

4 names
  • 2-Pentenedioic acid
  • Pentenedioic acid
  • 1,3-Propenedicarboxylic acid
  • 1-Propene-1,3-dicarboxylic acid

Work with Glutaconic acid

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

3-Hexenedioic acid4436-74-264 % similar trans-2-Pentenoic acid13991-37-258 % similar Traumatic acid6402-36-455 % similar 4-Bromocrotonic acid13991-36-152 % similar trans-3-Hexenoic acid1577-18-052 % similar Maleic acid110-16-750 % similar Fumaric acid110-17-850 % similar Poly(maleic acid)26099-09-250 % similar

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

Same formula

(2S)-5-Oxooxolane-2-carboxylic acid21461-84-7 Monomethyl fumarate2756-87-8 Monomethyl maleate3052-50-4 Citraconic acid498-23-7 Mesaconic acid498-24-8 Methyl 2-formyl-3-oxopropanoate50427-65-1 (2R)-Tetrahydro-5-oxo-2-furancarboxylic acid53558-93-3 1,1-Cyclopropanedicarboxylic acid598-10-7

Elsewhere

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