Methyl 4-Oxotetrahydrofuran-3-carboxylate - CAS 57595-23-0
Catalog: |
BB029755 |
Product Name: |
Methyl 4-Oxotetrahydrofuran-3-carboxylate |
CAS: |
57595-23-0 |
Synonyms: |
4-oxo-3-oxolanecarboxylic acid methyl ester; methyl 4-oxooxolane-3-carboxylate |
IUPAC Name: | methyl 4-oxooxolane-3-carboxylate |
Description: | Methyl 4-Oxotetrahydrofuran-3-carboxylate (CAS# 57595-23-0) is used for the preparation of fused-pyrimidine derivatives as a series of novel GPR119 agonists. |
Molecular Weight: | 144.13 |
Molecular Formula: | C6H8O4 |
Canonical SMILES: | COC(=O)C1COCC1=O |
InChI: | InChI=1S/C6H8O4/c1-9-6(8)4-2-10-3-5(4)7/h4H,2-3H2,1H3 |
InChI Key: | FCUDJBUBWCJOLK-UHFFFAOYSA-N |
Appearance: | Liquid |
LogP: | -0.62510 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113135877-A | Preparation method of high-optical-purity 3-hydroxytetrahydrofuran | 20210409 |
US-2021053967-A1 | Compounds for inhibition of alpha 4 beta 7 integrin | 20190814 |
WO-2021030438-A1 | Compounds for inhibition of alpha 4 beta 7 integrin | 20190814 |
WO-2020260425-A1 | Fused imidazole derivatives as il-17 modulators | 20190626 |
WO-2020257135-A1 | Triazole carboxylic acids as lpa antagonists | 20190618 |
Complexity: | 163 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 144.04225873 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 144.04225873 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 52.6 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.2 |
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