Indole-6-carboxaldehyde - CAS 1196-70-9
Catalog: |
BB004573 |
Product Name: |
Indole-6-carboxaldehyde |
CAS: |
1196-70-9 |
Synonyms: |
1H-indole-6-carbaldehyde |
IUPAC Name: | 1H-indole-6-carbaldehyde |
Description: | Indole-6-carboxaldehyde (CAS# 1196-70-9) is a compound useful in organic synthesis. |
Molecular Weight: | 145.16 |
Molecular Formula: | C9H7NO |
Canonical SMILES: | C1=CC(=CC2=C1C=CN2)C=O |
InChI: | InChI=1S/C9H7NO/c11-6-7-1-2-8-3-4-10-9(8)5-7/h1-6,10H |
InChI Key: | VSPBWOAEHQDXRD-UHFFFAOYSA-N |
Boiling Point: | 339.1 °C at 760 mmHg |
Purity: | 98 % |
Density: | 1.278 g/cm3 |
Storage: | Keep in dark place, Sealed in dry, Room Temperature |
MDL: | MFCD02179596 |
LogP: | 1.98040 |
GHS Hazard Statement: | H317 (95.24%): May cause an allergic skin reaction [Warning Sensitization, Skin] |
Precautionary Statement: | P261, P264, P272, P280, P302+P352, P305+P351+P338, P321, P333+P313, P337+P313, P363, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
17997857 | 20071112 | Functional evolution of the vitamin D and pregnane X receptors | BMC evolutionary biology |
Complexity: | 158 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 145.052763847 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 145.052763847 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 32.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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