(1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone - CAS 895152-66-6
Catalog: |
BB043924 |
Product Name: |
(1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone |
CAS: |
895152-66-6 |
Synonyms: |
SCHEMBL2079145; CTK8B6535; Tert-butyl 4-acetoxy-octahydroindole-1-carboxylate; Methanone, 1H-indol-3-yl(2,2,3,3-tetramethylcyclopropyl)- |
IUPAC Name: | 1H-indol-3-yl-(2,2,3,3-tetramethylcyclopropyl)methanone |
Description: | (1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone (CAS# 895152-66-6 ) is a useful research chemical. |
Molecular Weight: | 241.32 |
Molecular Formula: | C16H19NO |
Canonical SMILES: | CC1(C(C1(C)C)C(=O)C2=CNC3=CC=CC=C32)C |
InChI: | InChI=1S/C16H19NO/c1-15(2)14(16(15,3)4)13(18)11-9-17-12-8-6-5-7-10(11)12/h5-9,14,17H,1-4H3 |
InChI Key: | WYZQBEQQQKCTHM-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard] |
Precautionary Statement: | P264, P270, P273, P301+P317, P330, and P501 |
Signal Word: | Warning |
Complexity: | 357 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 241.14666423 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 241.14666423 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 32.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.2 |
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