L-Dihydroorotic acid

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Catalog Number
ACM5988192
Product Name
L-Dihydroorotic acid
Structure
Structure
CAS
5988-19-2
Category
Heterocyclic Organic Compound
Synonyms
(S)-4,5-Dihydroorotate
IUPAC Name
(4S)-2,6-Dioxo-1,3-diazinane-4-carboxylic acid
Molecular Weight
158.11
Molecular Formula
C5H6N2O4
Canonical SMILES
C1C(NC(=O)NC1=O)C(=O)O
InChI
InChI=1S/C5H6N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h2H,1H2,(H,9,10)(H2,6,7,8,11)/t2-/m0/s1
InChI Key
UFIVEPVSAGBUSI-REOHCLBHSA-N
Boiling Point
283.16 °C
Melting Point
254-255 °C(lit.)
Density
1.523 g/cm³
Appearance
White to off-white powder
Storage
Sealed in dry, 2-8 °C
Complexity
225
Exact Mass
158.03275668
Isomeric SMILES
C1[C@H](NC(=O)NC1=O)C(=O)O
Monoisotopic Mass
158.03275668
pKa
2.82±0.20(Predicted)
Refractive Index
1.5090
Topological Polar Surface Area
95.5 Ų
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