4-Hydroxy-6-methylcoumarin

C10H8O3CAS 13252-83-0176.17 g/mol

Open in Covalent MOL file
OOHO
Phenol

Properties

Molecular formula
C10H8O3
Molar mass
176.17 g/mol
Exact mass
176.0473 Da
logP
1.81Crippen estimate
Polar surface area
50.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 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
13252-83-0
SMILES
CC1=CC2=C(C=C1)OC(=O)C=C2O
InChIKey
WIRGBZBGYNIZIB-UHFFFAOYSA-N
InChI
InChI=1S/C10H8O3/c1-6-2-3-9-7(4-6)8(11)5-10(12)13-9/h2-5,11H,1H3

Weigh it out

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

Work with 4-Hydroxy-6-methylcoumarin

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

6-Chloro-4-hydroxycoumarin19484-57-262 % similar 6-Bromo-4-hydroxycoumarin4139-61-162 % similar 4-Hydroxycoumarin1076-38-660 % similar 6-Methylcoumarin92-48-851 % similar 4-Methylesculetin529-84-049 % similar 7-Methylcoumarin2445-83-249 % similar 5,7-Dihydroxycoumarin2732-18-545 % similar 6-Methylchromone-2-carboxylic acid5006-44-044 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Phenylsuccinic anhydride1131-15-3 2-Formylcinnamic acid130036-17-8 4-Methoxycourmarin20280-81-3 2H-Chromene-3-carboxylic acid22649-28-1 3-(4-Formylphenyl)-2-propenoic acid23359-08-2 6-Hydroxy-4-methylcoumarin2373-31-1 3-Methyl-1-benzofuran-2-carboxylic acid24673-56-1 3-Oxo-1-indancarboxylic acid29427-69-8

Elsewhere

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