Basic information
- CAS
74423-09-9- Standard SMILES
Cc1c[nH]c(=O)n(CCC(=O)O)c1=O- InChIKey
FCQZARGENYSGQL-UHFFFAOYSA-N- Molecular formula
- C8H10N2O4
- Average molar mass
- 198.18 g/mol
- Monoisotopic mass
- 198.0640568
Names & identifiers
- Preferred name
- 3-(2-Carboxyethyl)thymine
- IUPAC
- 3-(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)propanoic acid
- English name
- 3-(2-carboxyethyl)thymine
- Molecular weight
- 0
Names & synonyms
3-(2-Carboxyethyl)thymine74423-09-9DTXSID402254371(2H)-Pyrimidinepropanoic acid, 3,6-dihydro-5-methyl-2,6-dioxo-RefChem:92164DTXCID40147928SCHEMBL69264513-(5-methyl-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl)propanoic acid
Database identifiers
- CAS
74423-09-9- PubChem CID
- 173282
- DTXSID
DTXSID40225437
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 321
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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