5-Hydroxy isatoic anhydride

C₈H₅NO₄CAS 195986-91-5179.13 g/mol

Open in Covalent MOL file

Phenol

Properties

Molecular formula: C₈H₅NO₄
Molar mass: 179.13 g/mol
Exact mass: 179.0219 Da
logP: 0.19Crippen estimate
Polar surface area: 83.3 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

195986-91-5

SMILES

C1=CC2=C(C=C1O)C(=O)OC(=O)N2

InChIKey

JYDXUDOZEQAXBH-UHFFFAOYSA-N

InChI

InChI=1S/C8H5NO4/c10-4-1-2-6-5(3-4)7(11)13-8(12)9-6/h1-3,10H,(H,9,12)

Weigh it out

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

Names and synonyms

1 names

6-Hydroxy-2,4-dihydro-1H-3,1-benzoxazine-2,4-dione

Work with 5-Hydroxy isatoic anhydride

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

5-Bromoisatoic anhydride4692-98-267 % similar 5-Aminoisatoic anhydride169037-24-562 % similar 5-Fluoroisatonic anhydride321-69-762 % similar Urolithin A1143-70-050 % similar 4-Chloroisatoic anhydride40928-13-050 % similar 6,7-Dimethoxy-2H-3,1-benzoxazine-2,4(1H)-dione20197-92-649 % similar 4-Carboxylic-isatoic anhydride77423-14-448 % similar 4-Nitro-isatoic anhydride63480-10-444 % similar

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

Same formula

6-Nitrophthalide610-93-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook