Methyl 4-Oxotetrahydropyran-2-carboxylate - CAS 693245-83-9
Catalog: |
BB033776 |
Product Name: |
Methyl 4-Oxotetrahydropyran-2-carboxylate |
CAS: |
693245-83-9 |
Synonyms: |
4-oxo-2-oxanecarboxylic acid methyl ester; methyl 4-oxooxane-2-carboxylate |
IUPAC Name: | methyl 4-oxooxane-2-carboxylate |
Description: | Methyl 4-Oxotetrahydropyran-2-carboxylate (CAS# 693245-83-9) is a useful research chemical. |
Molecular Weight: | 158.15 |
Molecular Formula: | C7H10O4 |
Canonical SMILES: | COC(=O)C1CC(=O)CCO1 |
InChI: | InChI=1S/C7H10O4/c1-10-7(9)6-4-5(8)2-3-11-6/h6H,2-4H2,1H3 |
InChI Key: | DVGACOSKRXATSQ-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
AU-2018258581-A1 | RAF-degrading conjugate compounds | 20170428 |
CA-3060147-A1 | Raf-degrading conjugate compounds | 20170428 |
CN-110545853-A | RAF degrading coupled compounds | 20170428 |
EP-3615083-A1 | Raf-degrading conjugate compounds | 20170428 |
US-2018346457-A1 | Raf-degrading conjugate compounds | 20170428 |
Complexity: | 175 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 158.0579088 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 158.0579088 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 52.6 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.5 |
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