5-Hydroxy-1H-imidazole-4-carboxylic acid methyl ester
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Basic information
- CAS
98876-02-9- Standard SMILES
COC(=O)c1[nH]cnc1O- InChIKey
DOPRIRFMNIINFP-UHFFFAOYSA-N- Molecular formula
- C5H6N2O3
- Average molar mass
- 142.11 g/mol
- Monoisotopic mass
- 142.03784206
Names & identifiers
- Preferred name
- 5-Hydroxy-1H-imidazole-4-carboxylic acid methyl ester
- IUPAC
- methyl 4-hydroxy-1H-imidazole-5-carboxylate
- English name
- 1H-Imidazole-4-carboxylicacid,5-hydroxy-,methylester(9CI)
- Molecular formula
- C5H6N2O3
- Molecular weight
- 0
Names & synonyms
98876-02-95-HYDROXY-1H-IMIDAZOLE-4-CARBOXYLIC ACID METHYL ESTERMethyl 4-hydroxy-1H-imidazole-5-carboxylateNSC382319Methyl 5-hydroxy-1H-imidazole-4-carboxylateSCHEMBL2146034DTXSID60425593AKOS0063787415-[Hydroxy(methoxy)methylidene]-1,5-dihydro-4H-imidazol-4-one4-carbomethoxy-5-hydroxyimidazole1H-Imidazole-4-carboxylicacid,5-hydroxy-,methylester(9CI)
Database identifiers
- CAS
98876-02-9- PubChem CID
- 436103
- DTXSID
DTXSID60425593
Properties
Computed structural propertiesFilling in
- XLogP
- 0.8
- Topological polar surface area
- 75.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 139
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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