Morin hydrate

C₁₅H₁₄O₉CAS 6472-38-4338.27 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₅H₁₄O₉
Molar mass: 338.27 g/mol
Exact mass: 338.0638 Da
logP: 0.34Crippen estimate
Polar surface area: 194.4 Å²
H-bond donors / acceptors: 5 / 7
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 38 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

6472-38-4

SMILES

C1=CC(=C(C=C1O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O.O.O

InChIKey

AEVKYFNHIADTEI-UHFFFAOYSA-N

InChI

InChI=1S/C15H10O7.2H2O/c16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10(19)4-7(17)5-11(12)22-15;;/h1-5,16-19,21H;2*1H2

Weigh it out

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

Names and synonyms

1 names

Morin dihydrate

Work with Morin hydrate

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Morin480-16-0Anhydrous

Similar compounds

Datiscetin480-15-975 % similar Kaempferol520-18-370 % similar Galangin548-83-465 % similar Myricetin529-44-264 % similar Quercetin117-39-564 % similar Kaempferide491-54-358 % similar Isorhamnetin480-19-356 % similar Tamarixetin603-61-256 % similar

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

Same formula

Quercetin dihydrate6151-25-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook