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5-Vinyluracil

CAT: 0572-TRC-V625000-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-V625000-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
37107-81-6
Hazard Statement
Causes skin irritation.
Purity
>95% (HPLC)
Smiles
C=CC1=CNC(=O)NC1=O
Molecular Formula
C6 H6 N2 O2
Molecular Weight
138.12
InChI
InChI=1S/C6H6N2O2/c1-2-4-3-7-6(10)8-5(4)9/h2-3H,1H2,(H2,7,8,9,10)
Additionnal Information
IUPAC name: 5-ethenyl-1H-pyrimidine-2,4-dione
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

5-Vinyluracil

RN given refers to unlabeled parent cpd

CAS Number37107-81-6
PubChem CID99305
IUPAC Name5-ethenyl-1H-pyrimidine-2,4-dione
Molecular FormulaC6H6N2O2
Molecular Weight138.12
XLogP-0.2
Topological Polar Surface Area58.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity230
SMILES
C=CC1=CNC(=O)NC1=O
InChI
InChI=1S/C6H6N2O2/c1-2-4-3-7-6(10)8-5(4)9/h2-3H,1H2,(H2,7,8,9,10)
InChIKey
ZRYZBEQILKESAW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Vinyluracil
CAS: 37107-81-6
CID: 99305
Formula: C6H6N2O2
MW: 138.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight138.12
XLogP3-0.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass138.042927438
Monoisotopic Mass138.042927438
Topological Polar Surface Area58.2 Ų
Heavy Atom Count10
Formal Charge0
Complexity230
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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