Ethyl 4-Cyclopropyl-3-oxobutanoate - CAS 630399-84-7
Catalog: |
BB031959 |
Product Name: |
Ethyl 4-Cyclopropyl-3-oxobutanoate |
CAS: |
630399-84-7 |
Synonyms: |
4-cyclopropyl-3-oxobutanoic acid ethyl ester; ethyl 4-cyclopropyl-3-oxobutanoate |
IUPAC Name: | ethyl 4-cyclopropyl-3-oxobutanoate |
Description: | Ethyl 4-Cyclopropyl-3-oxobutanoate (CAS# 630399-84-7) is a useful research chemical. |
Molecular Weight: | 170.21 |
Molecular Formula: | C9H14O3 |
Canonical SMILES: | CCOC(=O)CC(=O)CC1CC1 |
InChI: | InChI=1S/C9H14O3/c1-2-12-9(11)6-8(10)5-7-3-4-7/h7H,2-6H2,1H3 |
InChI Key: | CIAYBTYUFUUVDE-UHFFFAOYSA-N |
Boiling Point: | 232 ℃ at 760 mmHg |
Density: | 1.081 g/cm3 |
Appearance: | Colorless to orange liquid |
LogP: | 1.30880 |
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 |
WO-2021119081-A1 | Hepatitis b capsid assembly modulators | 20191210 |
US-2020165231-A1 | Kras g12c inhibitors and methods of using the same | 20181119 |
US-11053226-B2 | KRAS G12C inhibitors and methods of using the same | 20181119 |
AU-2015369712-B2 | Mutant IDH1 inhibitors useful for treating cancer | 20141222 |
US-10703746-B2 | Mutant IDH1 inhibitors useful for treating cancer | 20141222 |
Complexity: | 182 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 170.094294304 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 170.094294304 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 43.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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