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(E)-5-(2-Carboxvinyl)uracil

CAT: 0572-TRC-C183225-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C183225-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
57412-59-6
Hazard Statement
No Data Available
Smiles
OC(=O)\C=C\C1=CNC(=O)NC1=O
Molecular Formula
C7 H6 N2 O4
Molecular Weight
182.13
InChI
InChI=1S/C7H6N2O4/c10-5(11)2-1-4-3-8-7(13)9-6(4)12/h1-3H,(H,10,11)(H2,8,9,12,13)/b2-1+
Additionnal Information
IUPAC name: (E)-3-(2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enoic acid
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

(2E)-3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)prop-2-enoic acid
CAS Number57412-59-6
PubChem CID869183
IUPAC Name(E)-3-(2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enoic acid
Molecular FormulaC7H6N2O4
Molecular Weight182.13
XLogP-1
Topological Polar Surface Area95.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity329
SMILES
C1=C(C(=O)NC(=O)N1)/C=C/C(=O)O
InChI
InChI=1S/C7H6N2O4/c10-5(11)2-1-4-3-8-7(13)9-6(4)12/h1-3H,(H,10,11)(H2,8,9,12,13)/b2-1+
InChIKey
HFEXWXMEGUJTQB-OWOJBTEDSA-N
Chemical Structure
2D Structure
2D structure of (2E)-3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)prop-2-enoic acid
CAS: 57412-59-6
CID: 869183
Formula: C7H6N2O4
MW: 182.13
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight182.13
XLogP3-1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass182.03275668
Monoisotopic Mass182.03275668
Topological Polar Surface Area95.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity329
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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