2,7-Dihydroxyfluoren-9-one

C₁₃H₈O₃CAS 42523-29-5212.20 g/mol

Open in Covalent MOL file

Ketone Phenol

Properties

Molecular formula: C₁₃H₈O₃
Molar mass: 212.20 g/mol
Exact mass: 212.0473 Da
Melting point: 338 °C
logP: 2.31Crippen estimate
Polar surface area: 57.5 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed11.1% of notifiers
H302 Harmful if swallowed22.2% of notifiers
H312 Harmful in contact with skin22.2% of notifiers
H315 Causes skin irritation55.6% of notifiers
H319 Causes serious eye irritation55.6% of notifiers
H332 Harmful if inhaled22.2% of notifiers
H335 May cause respiratory irritation22.2% of notifiers

Aggregated from 9 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, 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

42523-29-5

SMILES

O=C1c2cc(O)ccc2-c2ccc(O)cc21

InChIKey

CWHPQXRTQSNTRR-UHFFFAOYSA-N

InChI

InChI=1S/C13H8O3/c14-7-1-3-9-10-4-2-8(15)6-12(10)13(16)11(9)5-7/h1-6,14-15H

Weigh it out

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

Names and synonyms

5 names

9H-Fluoren-9-one, 2,7-dihydroxy-
2,7-Dihydroxy-9H-fluoren-9-one
RMI 15,152
RMI 15152
9-Fluorenone-2,7-diol

Work with 2,7-Dihydroxyfluoren-9-one

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

2-Hydroxyfluorenone6949-73-181 % similar 2,6-Dihydroxyanthraquinone84-60-672 % similar 2-Hydroxyanthraquinone605-32-364 % similar 2,2',4,4'-Tetrahydroxybenzophenone131-55-561 % similar 2,7-Dibromo-9-fluorenone14348-75-557 % similar 9-Fluorenone-2,7-dicarboxylic acid792-26-752 % similar 4,4'-Dihydroxy-biphenyl-2-carboxylic acid53197-57-252 % similar 4-Hydroxyphthalic acid610-35-550 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Urolithin B1139-83-9 Sieber linker3722-51-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook