Angelic anhydride

C₁₀H₁₄O₃CAS 94487-74-8182.22 g/mol

Open in Covalent MOL file

Acid anhydride Alkene

Properties

Molecular formula: C₁₀H₁₄O₃
Molar mass: 182.22 g/mol
Exact mass: 182.0943 Da
logP: 1.99Crippen estimate
Polar surface area: 43.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2
Double bonds: Z, ZE/Z, in SMILES order

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

94487-74-8

SMILES

C/C=C(\C(=O)OC(=O)/C(=C\C)/C)/C

InChIKey

LIHLSLRANKCHLV-SFECMWDFSA-N

InChI

InChI=1S/C10H14O3/c1-5-7(3)9(11)13-10(12)8(4)6-2/h5-6H,1-4H3/b7-5-,8-6-

Weigh it out

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

Work with Angelic anhydride

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

Methyl tiglate6622-76-067 % similar Ethyl tiglate5837-78-559 % similar 3-Methyl-3-penten-2-one565-62-850 % similar Citraconic anhydrides616-02-450 % similar Benzyl tiglate37526-88-847 % similar (Z)-3-Hexenyl tiglate67883-79-847 % similar cis-α,β-Dimethylacrylic acid565-63-946 % similar Tiglic acid80-59-146 % similar

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

Same formula

1,1-Cyclohexane diacetic anhydride1010-26-0 3-(Benzyloxy)-1,2-propanediol13071-59-5 Vanillyl ethyl ether13184-86-6 2-(Phenylmethoxy)-1,3-propanediol14690-00-7 3-(Benzyloxy)propane-1,2-diol17325-85-8 2-Acetyldimedone1755-15-3 Anisaldehyde dimethyl acetal2186-92-7 Dihydroconiferyl alcohol2305-13-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook