(±)-Dihydroorotic acid
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(±)-Dihydroorotic acid
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CAS No:
155-54-4
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Formula:
C5H6N2O4
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Chemical Name:
(±)-Dihydroorotic acid
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Synonyms:
4-Pyrimidinecarboxylic acid,hexahydro-2,6-dioxo-;Hydroorotic acid;Hexahydro-2,6-dioxo-4-pyrimidinecarboxylic acid;Dihydroorotic acid;6-Hydrouracilcarboxylic acid;5,6-Dihydroorotic acid;4,5-Dihydroorotic acid;5,6-Dihydrouracil-6-carboxylic acid;DL-4,5-Dihydroorotic acid;Dihydro-DL-orotic acid;(±)-Dihydroorotic acid;DL-Dihydroorotic acid;2,6-Dioxo-1,3-diazinane-4-carboxylic acid;6202-10-4
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CAS No:
Description
Solid
Solid
Dihydroorotic acid is a pyrimidinemonocarboxylic acid that results from the base-catalysed cyclisation of N(alpha)-carbethoxyasparagine. It is a secondary amide, a monocarboxylic acid, a pyrimidinemonocarboxylic acid and a N-acylurea. It derives from an orotic acid. It is a conjugate acid of a dihydroorotate.
Characteristics
95.50000
-1.5
Solid
1.523g/cm3
247-249 °C
1.519
125.2 Ų [M-H]- [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
Safety Information
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:158.11
XLogP3:-1.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:158.03275668
Monoisotopic Mass:158.03275668
Topological Polar Surface Area:95.5
Heavy Atom Count:11
Complexity:225
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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