1-Oxo-2,3-dihydro-1H-indene-4-carbonitrile - CAS 60899-34-5
Catalog: |
BB030850 |
Product Name: |
1-Oxo-2,3-dihydro-1H-indene-4-carbonitrile |
CAS: |
60899-34-5 |
Synonyms: |
1-oxo-2,3-dihydroindene-4-carbonitrile; 1-oxo-2,3-dihydroindene-4-carbonitrile |
IUPAC Name: | 1-oxo-2,3-dihydroindene-4-carbonitrile |
Description: | 1-Oxo-2,3-dihydro-1H-indene-4-carbonitrile (CAS# 60899-34-5) is a reagent in the preparation and anticonvulsant activity of imidazoindenopyrazinone carboxylic acid derivatives as AMPA antagonists. |
Molecular Weight: | 157.17 |
Molecular Formula: | C10H7NO |
Canonical SMILES: | C1CC(=O)C2=CC=CC(=C21)C#N |
InChI: | InChI=1S/C10H7NO/c11-6-7-2-1-3-9-8(7)4-5-10(9)12/h1-3H,4-5H2 |
InChI Key: | SCTBWJINDJVNDM-UHFFFAOYSA-N |
Boiling Point: | 330.1 °C at 760 mmHg |
Density: | 1.23 g/cm3 |
MDL: | MFCD01111989 |
LogP: | 1.68718 |
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-113214111-A | Preparation method of 3- (2-cyanophenyl) propionic acid and 4-cyano-1-indanone | 20210430 |
CN-111704559-A | Method for preparing 2, 3-dihydro-1-oxo-1H-indene-4-carbonitrile | 20200630 |
WO-2021195396-A1 | Sphingosine 1 phosphate receptor modulators | 20200327 |
WO-2020219207-A1 | Sphingosine 1 phosphate receptor modulator | 20190426 |
WO-2020205478-A1 | Sphingosine 1 phosphate receptor modulators | 20190329 |
Complexity: | 250 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 157.052763847 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 157.052763847 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 40.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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