Fraxetin

C₁₀H₈O₅CAS 574-84-5208.17 g/mol

Open in Covalent MOL file

Ether Phenol

Properties

Molecular formula: C₁₀H₈O₅
Molar mass: 208.17 g/mol
Exact mass: 208.0372 Da
Melting point: 231 °C
logP: 1.21Crippen estimate
Polar surface area: 79.9 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin97.4% of notifiers
H315 Causes skin irritation97.4% of notifiers
H319 Causes serious eye irritation97.4% of notifiers
H332 Harmful if inhaled97.4% of notifiers
H335 May cause respiratory irritation97.4% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

574-84-5

SMILES

COc1cc2ccc(=O)oc2c(O)c1O

InChIKey

HAVWRBANWNTOJX-UHFFFAOYSA-N

InChI

InChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3

Weigh it out

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

Names and synonyms

7 names

2H-1-Benzopyran-2-one, 7,8-dihydroxy-6-methoxy-
Coumarin, 7,8-dihydroxy-6-methoxy-
7,8-Dihydroxy-6-methoxy-2H-1-benzopyran-2-one
7,8-Dihydroxy-6-methoxycoumarin
Fraxetol
6-Methoxy-7,8-dihydroxycoumarin
Fratexin

Work with Fraxetin

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

Isofraxidin486-21-579 % similar 6,7,8-Trimethoxycoumarin6035-49-064 % similar Scopoletin92-61-557 % similar Scoparone120-08-156 % similar Fraxinol486-28-255 % similar Xanthotoxol2009-24-754 % similar Isoscopoletin776-86-353 % similar Fraxin524-30-153 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia