| CAS Number | 89937-94-0 |
| Catalog Number | AG019VXH(AGN-PC-0WO10V) |
| Chemical Name | 2-[(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)formamido]acetic acid |
| IUPAC Name | 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]acetic acid |
| InChI | InChI=1S/C7H7N3O5/c11-4(12)2-8-5(13)3-1-9-7(15)10-6(3)14/h1H,2H2,(H,8,13)(H,11,12)(H2,9,10,14,15) |
| InChI Key | HNEYLBPIDFRPFM-UHFFFAOYSA-N |
| MDL Number | MFCD11168933 |
| Molecular Formula | C7H7N3O5 |
| Molecular Weight | 213.1476 |
| SMILES | OC(CNC(C1C(=O)NC(=O)NC=1)=O)=O |
| Synonyms | 2-[(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)formamido]acetic acid,
89937-94-0,
AC1Q75ZE,
CTK7J5194,
ZINC20244589,
AKOS008113408,
MCULE-2886183163,
NE40503,
EN300-49784,
|
| Complexity | 373 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.039g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.149g/mol |
| Monoisotopic Mass | 213.039g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 125A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.3 |
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Certificate of Analysis
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