Ethyl 4-Methyl-2-pyrrolecarboxylate - CAS 40611-85-6
Catalog: |
BB024583 |
Product Name: |
Ethyl 4-Methyl-2-pyrrolecarboxylate |
CAS: |
40611-85-6 |
Synonyms: |
4-methyl-1H-pyrrole-2-carboxylic acid ethyl ester; ethyl 4-methyl-1H-pyrrole-2-carboxylate |
IUPAC Name: | ethyl 4-methyl-1H-pyrrole-2-carboxylate |
Description: | Ethyl 4-Methyl-2-pyrrolecarboxylate (CAS# 40611-85-6) is a useful research chemical. |
Molecular Weight: | 153.18 |
Molecular Formula: | C8H11NO2 |
Canonical SMILES: | CCOC(=O)C1=CC(=CN1)C |
InChI: | InChI=1S/C8H11NO2/c1-3-11-8(10)7-4-6(2)5-9-7/h4-5,9H,3H2,1-2H3 |
InChI Key: | RWFKYBVNHRKZSN-UHFFFAOYSA-N |
Boiling Point: | 104 ℃ / 1 mmHg |
Density: | 1.106 g/cm3 |
LogP: | 1.49980 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2021207274-A1 | Alternating current electrolysis for use in organic synthesis | 20200103 |
WO-2021032935-A1 | Enzyme inhibitors | 20190821 |
WO-2021032938-A1 | Enzyme inhibitors | 20190821 |
WO-2020038456-A1 | Crystal form of tri-cycle compound and application thereof | 20180823 |
US-2020131172-A1 | Dynamin-1-like protein inhibitors | 20170426 |
Complexity: | 147 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 153.078978594 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 153.078978594 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 42.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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