Violuric acid monohydrate

C4H5N3O5CAS 26351-19-9175.10 g/mol

NHONHOHONOH2O
Phenol

Properties

Molecular formula
C4H5N3O5
Molar mass
175.10 g/mol
Exact mass
175.0229 Da
logP
-1.66Crippen estimate
Polar surface area
146.9 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 44 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
26351-19-9
SMILES
C1(=C(NC(=O)NC1=O)O)N=O.O
InChIKey
QJGCOHAQRQNJFS-UHFFFAOYSA-N
InChI
InChI=1S/C4H3N3O4.H2O/c8-2-1(7-11)3(9)6-4(10)5-2;/h(H3,5,6,8,9,10);1H2

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Similar compounds

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

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