Ethyl 4-formylpyrrole-2-carboxylate - CAS 7126-57-0
Catalog: |
BB034343 |
Product Name: |
Ethyl 4-formylpyrrole-2-carboxylate |
CAS: |
7126-57-0 |
Synonyms: |
ethyl 4-formyl-1H-pyrrole-2-carboxylate |
IUPAC Name: | ethyl 4-formyl-1H-pyrrole-2-carboxylate |
Description: | Ethyl 4-formylpyrrole-2-carboxylate (CAS# 7126-57-0) is a useful research chemical. |
Molecular Weight: | 167.16 |
Molecular Formula: | C8H9NO3 |
Canonical SMILES: | CCOC(=O)C1=CC(=CN1)C=O |
InChI: | InChI=1S/C8H9NO3/c1-2-12-8(11)7-3-6(5-10)4-9-7/h3-5,9H,2H2,1H3 |
InChI Key: | WVSAWXIWWNJTAV-UHFFFAOYSA-N |
Boiling Point: | 335.2 ℃ at 760 mmHg |
Density: | 1.249 g/cm3 |
MDL: | MFCD04122505 |
LogP: | 1.00390 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020038456-A1 | Crystal form of tri-cycle compound and application thereof | 20180823 |
WO-2019094319-A1 | Pyrrolopyrazine derivatives as alpha v integrin inhibitors | 20171107 |
BR-112020008893-A2 | pyrrolopyrazine derivatives as alpha v integrin inhibitors | 20171107 |
CN-111433207-A | As αVPyrrolopyrazine derivatives of integrin inhibitors | 20171107 |
EP-3707142-A1 | Pyrrolopyrazine derivatives as alpha v integrin inhibitors | 20171107 |
Complexity: | 181 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 167.058243149 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 167.058243149 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 59.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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