6-Heptenoic acid

C₇H₁₂O₂CAS 1119-60-4128.17 g/mol

Open in Covalent MOL file

Alkene Carboxylic acid

Properties

Molecular formula: C₇H₁₂O₂
Molar mass: 128.17 g/mol
Exact mass: 128.0837 Da
Density: 0.9515 g/mL (at 14.9 °C)
Melting point: −6.5 °C
Boiling point: 226 °C
logP: 1.82Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 5

Identifiers

CAS number

1119-60-4

SMILES

C=CCCCCC(=O)O

InChIKey

RWNJOXUVHRXHSD-UHFFFAOYSA-N

InChI

InChI=1S/C7H12O2/c1-2-3-4-5-6-7(8)9/h2H,1,3-6H2,(H,8,9)

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

Names and synonyms

1 names

6-Heptanoic acid

Work with 6-Heptenoic 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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Undecylenic acid112-38-996 % similar 9-Decenoic acid14436-32-996 % similar 4-Pentenoic acid591-80-072 % similar Pimelic acid111-16-058 % similar Sebacic acid111-20-658 % similar Pentadecanedioic acid1460-18-058 % similar Heptadecanedioic acid2424-90-058 % similar Eicosanedioic acid2424-92-258 % similar

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

Same formula

3,3-Diethoxy-1-propyne10160-87-9 2-Ethoxy-3,4-dihydro-2H-pyran103-75-3 γ-Heptalactone105-21-5 Isobutyl acrylate106-63-8 Cyclopentaneacetic acid1123-00-8 Prenyl acetate1191-16-8 2,2-Dimethyltetrahydropyran-4-one1194-16-7 1-(Tetrahydro-2H-pyran-4-yl)ethanone137052-08-5

Elsewhere

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