2,4-Pentadienoic acid

C₅H₆O₂CAS 626-99-398.10 g/mol

Open in Covalent MOL file

Alkene Carboxylic acid

Properties

Molecular formula: C₅H₆O₂
Molar mass: 98.10 g/mol
Exact mass: 98.0368 Da
Melting point: 79 °C
logP: 0.81Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Identifiers

CAS number

626-99-3

SMILES

C=CC=CC(=O)O

InChIKey

SDVVLIIVFBKBMG-UHFFFAOYSA-N

InChI

InChI=1S/C5H6O2/c1-2-3-4-5(6)7/h2-4H,1H2,(H,6,7)

Weigh it out

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

Names and synonyms

7 names

α,γ-Pentadienoic acid
1,3-Butadiene-1-carboxylic acid
Butadiene-1-carboxylic acid
1-Carboxybutadiene
β-Vinylacrylic acid
1-Carboxy-1,3-butadiene
NSC 16628

Work with 2,4-Pentadienoic 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

Cis,cis-muconic acid1119-72-865 % similar Maleic acid110-16-755 % similar Fumaric acid110-17-855 % similar Poly(maleic acid)26099-09-255 % similar Acrylic acid-maleic acid copolymer29132-58-954 % similar Sorbic acid110-44-152 % similar Polyacrylic acid9003-01-448 % similar Crotonic acid107-93-746 % similar

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

Same formula

2-Methoxyfuran25414-22-6 1,3-Cyclopentanedione3859-41-4 3-Furanmethanol4412-91-3 Tulipalin A547-65-9 α-Angelica lactone591-12-8 4-Pentynoic acid6089-09-4 2-Methylidenecyclopropane-1-carboxylic acid62266-36-8 Ethyl propiolate623-47-2

Elsewhere

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