6-methoxy-1-benzofuran-2-carbaldehyde - CAS 53860-74-5
Catalog: |
BB028378 |
Product Name: |
6-methoxy-1-benzofuran-2-carbaldehyde |
CAS: |
53860-74-5 |
Synonyms: |
6-methoxy-2-benzofurancarboxaldehyde; 6-methoxy-1-benzofuran-2-carbaldehyde |
IUPAC Name: | 6-methoxy-1-benzofuran-2-carbaldehyde |
Description: | 6-methoxy-1-benzofuran-2-carbaldehyde (CAS# 53860-74-5) is a useful research chemical. |
Molecular Weight: | 176.171 |
Molecular Formula: | C10H8O3 |
Canonical SMILES: | COC1=CC2=C(C=C1)C=C(O2)C=O |
InChI: | InChI=1S/C10H8O3/c1-12-8-3-2-7-4-9(6-11)13-10(7)5-8/h2-6H,1H3 |
InChI Key: | GOFAYQFZGHXFTL-UHFFFAOYSA-N |
Boiling Point: | 296 ℃ at 760 mmHg |
Density: | 1.24 g/cm3 |
LogP: | 2.25390 |
Publication Number | Title | Priority Date |
AU-2009304596-A1 | S1P receptors modulators | 20081017 |
CA-2739901-A1 | S1p receptors modulators | 20081017 |
EP-2344446-A1 | S1p receptors modulators | 20081017 |
US-2012034270-A1 | S1P Receptors Modulators | 20081017 |
US-9181182-B2 | S1P receptors modulators | 20081017 |
Complexity: | 193 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 176.047344113 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 176.047344113 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 39.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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