Orotic acid monohydrate
Properties
- Molecular formula
- C5H6N2O5
- Molar mass
- 174.11 g/mol
- Exact mass
- 174.0277 Da
- Melting point
- 334 °C
- logP
- -1.24Crippen estimate
- Polar surface area
- 135.0 Ų
- H-bond donors / acceptors
- 3 / 5
- Rotatable bonds
- 1
Hazards
Warning
- H315 Causes skin irritation92.2% of notifiers
- H319 Causes serious eye irritation92.2% of notifiers
- H335 May cause respiratory irritation90.2% of notifiers
Aggregated from 51 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
50887-69-9SMILES
O.O=C(O)c1cc(O)nc(O)n1InChIKey
YXUZGLGRBBHYFZ-UHFFFAOYSA-NInChI
InChI=1S/C5H4N2O4.H2O/c8-3-1-2(4(9)10)6-5(11)7-3;/h1H,(H,9,10)(H2,6,7,8,11);1H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- 4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-2,6-dioxo-, hydrate (1:1)
- 4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-2,6-dioxo-, monohydrate
- 2,6-Dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid hydrate
- 2,6-Dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid hydrate
Work with Orotic acid monohydrate
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
Methyl 1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinecarboxylate6153-44-251 % similar
6-Hydroxypyrimidine-4-carboxylic acid6299-87-250 % similar
Citrazinic acid99-11-650 % similar
2,5-Pyrazinedicarboxylic acid dihydrate205692-63-347 % similar
6-Hydroxypicolinic acid19621-92-246 % similar
4-Bromo-2,6-pyridinedicarboxylic Acid162102-81-044 % similar
4-Chloro-2,6-pyridinedicarboxylic Acid4722-94-544 % similar
4,6-Pyrimidine dicarboxylic acid16490-02-140 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.