methyl 4-(1-methyl-1H-pyrrol-2-yl)-2,4-dioxobutanoate
Basic information
- CAS
881441-91-4- Standard SMILES
COC(=O)C(=O)CC(=O)c1cccn1C- InChIKey
VUQQWMLOBDJKKW-UHFFFAOYSA-N- Molecular formula
- C10H11NO4
- Average molar mass
- 209.2 g/mol
- Monoisotopic mass
- 209.06880783
Names & identifiers
- Preferred name
- methyl 4-(1-methyl-1H-pyrrol-2-yl)-2,4-dioxobutanoate
- IUPAC
- methyl 4-(1-methylpyrrol-2-yl)-2,4-dioxobutanoate
Names & synonyms
methyl 4-(1-methyl-1H-pyrrol-2-yl)-2,4-dioxobutanoate881441-91-4RefChem:815818998-425-8methyl 4-(1-methylpyrrol-2-yl)-2,4-dioxobutanoateF3250-0660Methyl 4-(1-Methyl-2-pyrrolyl)-2,4-dioxobutanoateSMSSF-0055571GKB44191MFCD07423556AKOS002262874SY204027
Show more names
CS-0239997ST50165933VU0607305-1EN300-222502methyl 4-(1-methyl-2-pyrrolyl)-2,4-dioxobutyratemethyl4-(1-methyl-1H-pyrrol-2-yl)-2,4-dioxobutanoate
Database identifiers
- CAS
881441-91-4- PubChem CID
- 6472067
- EC Number
- 998-425-8
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 65.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 287
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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