Ethyl 1-Methyl-4-oxocyclohexanecarboxylate - CAS 147905-77-9
Catalog: |
BB010245 |
Product Name: |
Ethyl 1-Methyl-4-oxocyclohexanecarboxylate |
CAS: |
147905-77-9 |
Synonyms: |
1-methyl-4-oxo-1-cyclohexanecarboxylic acid ethyl ester; ethyl 1-methyl-4-oxocyclohexane-1-carboxylate |
IUPAC Name: | ethyl 1-methyl-4-oxocyclohexane-1-carboxylate |
Description: | Ethyl 1-Methyl-4-oxocyclohexanecarboxylate (CAS# 147905-77-9) is a useful research chemical. |
Molecular Weight: | 184.23 |
Molecular Formula: | C10H16O3 |
Canonical SMILES: | CCOC(=O)C1(CCC(=O)CC1)C |
InChI: | InChI=1S/C10H16O3/c1-3-13-9(12)10(2)6-4-8(11)5-7-10/h3-7H2,1-2H3 |
InChI Key: | GYDKHYAZKCAMAS-UHFFFAOYSA-N |
Appearance: | Pale yellow to yellow brown liquid |
LogP: | 1.69890 |
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 |
CA-3075880-A1 | Tetrahydro-imidazo quinoline compositions as cbp/p300 inhibitors | 20170915 |
US-2020216445-A1 | Tetrahydro-imidazo quinoline compositions as cbp/p300 inhibitors | 20170915 |
WO-2019055877-A1 | TETRAHYDROIMIDAZO QUINOLINE COMPOSITIONS AS INHIBITORS OF CBP / P300 | 20170915 |
EP-3681885-A1 | Tetrahydro-imidazo quinoline compositions as cbp/p300 inhibitors | 20170915 |
AU-2018318692-A1 | Macrocyclic MCL-1 inhibitors and methods of use | 20170815 |
Complexity: | 210 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 184.109944368 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 184.109944368 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 43.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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