Basic information
- CAS
1113102-07-0- Standard SMILES
COC(=O)c1cccc2nc(C(=O)O)cn12- InChIKey
HJUQPLDPKBEOAB-UHFFFAOYSA-N- Molecular formula
- C10H8N2O4
- Average molar mass
- 220.18 g/mol
- Monoisotopic mass
- 220.04840674
Names & identifiers
- Preferred name
- 5-(Methoxycarbonyl)imidazo[1,2-a]pyridine-2-carboxylic acid
- IUPAC
- 5-methoxycarbonylimidazo[1,2-a]pyridine-2-carboxylic acid
- English name
- Methyl iMidazo[1,2-a]pyridine-2,5-dicarboxylate
- Molecular formula
- C10H8N2O4
- Molecular weight
- 220.18
Names & synonyms
5-(Methoxycarbonyl)imidazo[1,2-a]pyridine-2-carboxylic acidSCHEMBL4542221DTXSID30735131AKOS015966658EN300-11689841METHYL IMIDAZO[1,2-A]PYRIDINE-2,5-DICARBOXYLATEZ2044798898Imidazo[1,2-a]pyridine-2,5-dicarboxylic acid, 5-methyl ester
Database identifiers
- CAS
1113102-07-0- PubChem CID
- 66524331
- DTXSID
DTXSID30735131
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 307
Physicochemical properties
- Density
- 1.47 · 1.47±0.1 g/cm3(Predicted)
- pka
- -4 · -4+-.0.41(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Suppliers1 total
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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