3,4-Dihydro-2H-1,5-benzodioxepine-6-carbaldehyde - CAS 209256-62-2
Catalog: |
BB016434 |
Product Name: |
3,4-Dihydro-2H-1,5-benzodioxepine-6-carbaldehyde |
CAS: |
209256-62-2 |
Synonyms: |
3,4-dihydro-2H-1,5-benzodioxepin-6-carboxaldehyde; 3,4-dihydro-2H-1,5-benzodioxepine-6-carbaldehyde |
IUPAC Name: | 3,4-dihydro-2H-1,5-benzodioxepine-6-carbaldehyde |
Description: | 3,4-Dihydro-2H-1,5-benzodioxepine-6-carbaldehyde (CAS# 209256-62-2) is a useful research chemical. |
Molecular Weight: | 178.18 |
Molecular Formula: | C10H10O3 |
Canonical SMILES: | C1COC2=CC=CC(=C2OC1)C=O |
InChI: | InChI=1S/C10H10O3/c11-7-8-3-1-4-9-10(8)13-6-2-5-12-9/h1,3-4,7H,2,5-6H2 |
InChI Key: | VXDUBVRFTGUJCJ-UHFFFAOYSA-N |
Boiling Point: | 299.1 ℃ at 760 mmHg |
Density: | 1.205 g/cm3 |
MDL: | MFCD04972613 |
LogP: | 1.66040 |
Publication Number | Title | Priority Date |
CA-2762137-A1 | Novel calcium sensing receptor modulating compounds and pharmaceutical use thereof | 20090527 |
EP-2435404-A1 | Novel calcium sensing receptor modulating compounds and pharmaceutical use thereof | 20090527 |
JP-2012528086-A | Novel calcium-sensing receptor modulatory compound and pharmaceutical use thereof | 20090527 |
US-2012122784-A1 | Novel calcium sensing receptor modulating compounds and pharmaceutical use thereof | 20090527 |
US-8765676-B2 | Calcium sensing receptor modulating compounds and pharmaceutical use thereof | 20090527 |
Complexity: | 181 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 178.062994177 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 178.062994177 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 35.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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