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Thymin-1-yl acetic acid

CAT: 0931-TNU0888-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TNU0888-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
20924-05-4
Target
Others
Related Pathways
Others
Bioactivity
Thymin-1-yl acetic acid is a PNA-related Derivative; PNA monomer.
Smiles
CC1=CN(CC(O)=O)C(=O)NC1=O
Molecular Formula
C7H8N2O4
Molecular Weight
184.15
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-(5-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetic acid
CAS Number20924-05-4
PubChem CID853753
IUPAC Name2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetic acid
Molecular FormulaC7H8N2O4
Molecular Weight184.15
XLogP-0.8
Topological Polar Surface Area86.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity308
SMILES
CC1=CN(C(=O)NC1=O)CC(=O)O
InChI
InChI=1S/C7H8N2O4/c1-4-2-9(3-5(10)11)7(13)8-6(4)12/h2H,3H2,1H3,(H,10,11)(H,8,12,13)
InChIKey
TZDMCKHDYUDRMB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(5-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetic acid
CAS: 20924-05-4
CID: 853753
Formula: C7H8N2O4
MW: 184.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight184.15
XLogP3-0.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass184.04840674
Monoisotopic Mass184.04840674
Topological Polar Surface Area86.7 Ų
Heavy Atom Count13
Formal Charge0
Complexity308
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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