1-Acetyl-3-indolecarboxaldehyde - CAS 22948-94-3
Catalog: |
BB017834 |
Product Name: |
1-Acetyl-3-indolecarboxaldehyde |
CAS: |
22948-94-3 |
Synonyms: |
1-acetylindole-3-carbaldehyde |
IUPAC Name: | 1-acetylindole-3-carbaldehyde |
Description: | 1-Acetyl-3-indolecarboxaldehyde (CAS# 22948-94-3) is a useful research chemical. |
Molecular Weight: | 187.19 |
Molecular Formula: | C11H9NO2 |
Canonical SMILES: | CC(=O)N1C=C(C2=CC=CC=C21)C=O |
InChI: | InChI=1S/C11H9NO2/c1-8(14)12-6-9(7-13)10-4-2-3-5-11(10)12/h2-7H,1H3 |
InChI Key: | LCJLFGSKHBDOAY-UHFFFAOYSA-N |
Boiling Point: | 336 °C at 760 mmHg |
Melting Point: | 164-166 °C |
Purity: | 95 % |
Density: | 1.19 g/cm3 |
Appearance: | White to yellow crystalline powder |
MDL: | MFCD00039691 |
LogP: | 2.11390 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113480537-A | Quinazolinone [2,3-a ] carboline derivative and preparation method and application thereof | 20210618 |
CN-112479972-A | Synthesis method of 5-iodoindole compound | 20210128 |
CN-112028811-A | 4-iodo-indole compound and preparation method thereof | 20200527 |
CN-112028812-A | 4-bromoindole compound and preparation method thereof | 20200527 |
CN-106673988-B | Benzyl subunit cyclohexenone derivative and preparation method and medical application thereof | 20161205 |
PMID | Publication Date | Title | Journal |
21126022 | 20110113 | Virtual screening identification of nonfolate compounds, including a CNS drug, as antiparasitic agents inhibiting pteridine reductase | Journal of medicinal chemistry |
Complexity: | 252 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 187.063328530 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 187.063328530 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 39.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS