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Orotic acid

CAT: 0024-sc-215637ASize: 100 gDry Ice: NoHazardous: No
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CAT#:0024-sc-215637ASize:100 g
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CAS Number
65-86-1

Chemical Information

Orotic Acid

Orotic acid is a pyrimidinemonocarboxylic acid that is uracil bearing a carboxy substituent at position C-6. It has a role as a metabolite, a mouse metabolite and an Escherichia coli metabolite. It is functionally related to a uracil. It is a conjugate acid of an orotate.

CAS Number65-86-1
PubChem CID967
IUPAC Name2,4-dioxo-1H-pyrimidine-6-carboxylic acid
Molecular FormulaC5H4N2O4
Molecular Weight156.10
XLogP-1.4
Topological Polar Surface Area95.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity268
SMILES
C1=C(NC(=O)NC1=O)C(=O)O
InChI
InChI=1S/C5H4N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11)
InChIKey
PXQPEWDEAKTCGB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Orotic Acid
CAS: 65-86-1
CID: 967
Formula: C5H4N2O4
MW: 156.10
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight156.10
XLogP3-1.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass156.01710661
Monoisotopic Mass156.01710661
Topological Polar Surface Area95.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity268
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-N0157-01Orotic acid
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286214-01Orotic acid anhydrous
T3271-01Orotic acid zinc
HY-N0157R-01Orotic acid (Standard)
GTR19158447-01Orotic Acid Monohydrate
HY-N0157A-01Orotic acid (zinc)
A10677-500Orotic acid 500mg
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