Pyrocatechol carbonate

C₇H₄O₃CAS 2171-74-6136.11 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₄O₃
Molar mass: 136.11 g/mol
Exact mass: 136.0160 Da
logP: 1.39Crippen estimate
Polar surface area: 43.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the 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

2171-74-6

SMILES

C1=CC=C2C(=C1)OC(=O)O2

InChIKey

NZPSDGIEKAQVEZ-UHFFFAOYSA-N

InChI

InChI=1S/C7H4O3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H

Weigh it out

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

Names and synonyms

7 names

1,3-Benzodioxol-2-one
Benzo[d][1,3]dioxol-2-one
o-Phenylene carbonate
2H-1,3-Benzodioxol-2-one
1,3-Benzodioxol-2-on
1,3-Dioxaindan-2-one
Carbonic acid, cyclic o-phenylene ester

Reactions

o-PHENYLENE CARBONATE (Carbonic acid, o-phenylene ester)product

Work with Pyrocatechol carbonate

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

4,5-Diphenyl-1,3-dioxol-2-one21240-34-652 % similar Xanthone90-47-146 % similar Dibenzofuran132-64-943 % similar Coumarin91-64-542 % similar 4,6-Diphenylthieno[3,4-d]-1,3-dioxol-2-one 5,5-dioxide54714-11-340 % similar Diphenic anhydride6050-13-138 % similar 3-Methylbenzo[d]oxazol-2(3H)-one21892-80-837 % similar 4,5-Dimethyl-1,3-dioxol-2-one37830-90-336 % similar

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

Elsewhere

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