4-(4-Methylphenyl)-4-oxobutyric acid - CAS 4619-20-9
Catalog: |
BB026095 |
Product Name: |
4-(4-Methylphenyl)-4-oxobutyric acid |
CAS: |
4619-20-9 |
Synonyms: |
4-(4-methylphenyl)-4-oxobutanoic acid |
IUPAC Name: | 4-(4-methylphenyl)-4-oxobutanoic acid |
Description: | 4-(4-Methylphenyl)-4-oxobutyric acid (CAS# 4619-20-9) is a useful research chemical. |
Molecular Weight: | 192.21 |
Molecular Formula: | C11H12O3 |
Canonical SMILES: | CC1=CC=C(C=C1)C(=O)CCC(=O)O |
InChI: | InChI=1S/C11H12O3/c1-8-2-4-9(5-3-8)10(12)6-7-11(13)14/h2-5H,6-7H2,1H3,(H,13,14) |
InChI Key: | OEEUWZITKKSXAZ-UHFFFAOYSA-N |
Boiling Point: | 378.8 ℃ at 760 mmHg |
Density: | 1.165 g/cm3 |
MDL: | MFCD00020541 |
LogP: | 2.04250 |
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-111892582-A | Preparation method of benzofuran coumarin compound | 20200716 |
CN-112625036-A | Compound with BRD4 inhibitory activity, preparation method and application thereof | 20191008 |
WO-2021068755-A1 | Compound having brd4 inhibitory activity, preparation method therefor and use thereof | 20191008 |
WO-2021028440-A1 | Reducing the corrosion of silver wires on a glass substrate | 20190813 |
CN-112142731-A | 2, 4-disubstituted pyrimidine derivative and preparation method and application thereof | 20190628 |
Complexity: | 215 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 192.078644241 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 192.078644241 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 54.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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