Resorufin

C12H7NO3CAS 635-78-9213.19 g/mol

Open in Covalent MOL file
ONOHO
Phenol

Properties

Molecular formula
C12H7NO3
Molar mass
213.19 g/mol
Exact mass
213.0426 Da
logP
2.00Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 156 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
635-78-9
SMILES
O=c1ccc2nc3ccc(O)cc3oc-2c1
InChIKey
HSSLDCABUXLXKM-UHFFFAOYSA-N
InChI
InChI=1S/C12H7NO3/c14-7-1-3-9-11(5-7)16-12-6-8(15)2-4-10(12)13-9/h1-6,14H

Weigh it out

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

Names and synonyms

7 names
  • 3H-Phenoxazin-3-one, 7-hydroxy-
  • 7-Hydroxy-3H-phenoxazin-3-one
  • Resorufine
  • 7-Hydroxyphenoxazin-3-one
  • 7-Hydroxyphenoxaz-3-one
  • NSC 12097
  • Resofurin

Work with Resorufin

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

4′,7-Dihydroxyflavone2196-14-738 % similar Umbelliferone93-35-637 % similar 7-Hydroxyflavone6665-86-737 % similar Urolithin A1143-70-036 % similar 6-Bromo-2(3H)-benzoxazolone19932-85-536 % similar Tioxolone4991-65-536 % similar 3-Cyano-7-hydroxycoumarin19088-73-435 % similar Urolithin B1139-83-934 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Nitrodibenzofuran5410-97-9 4-Aminonaphthalene-1,8-dicarboxylic anhydride6492-86-0 N-Hydroxynaphthalimide7797-81-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook