Ethyl 2-(4-Acetylphenyl)acetate - CAS 1528-42-3
Catalog: |
BB010823 |
Product Name: |
Ethyl 2-(4-Acetylphenyl)acetate |
CAS: |
1528-42-3 |
Synonyms: |
2-(4-acetylphenyl)acetic acid ethyl ester; ethyl 2-(4-acetylphenyl)acetate |
IUPAC Name: | ethyl 2-(4-acetylphenyl)acetate |
Description: | Ethyl 2-(4-Acetylphenyl)acetate (CAS# 1528-42-3) is a useful research chemical. |
Molecular Weight: | 206.24 |
Molecular Formula: | C12H14O3 |
Canonical SMILES: | CCOC(=O)CC1=CC=C(C=C1)C(=O)C |
InChI: | InChI=1S/C12H14O3/c1-3-15-12(14)8-10-4-6-11(7-5-10)9(2)13/h4-7H,3,8H2,1-2H3 |
InChI Key: | UYKWAZSTKGYKOG-UHFFFAOYSA-N |
Boiling Point: | 315.5 °C at 760 mmHg |
Density: | 1.083 g/cm3 |
LogP: | 1.99480 |
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-2019136022-A1 | Periodontal disease therapy | 20180102 |
US-2020383902-A1 | Periodontal disease therapy | 20180102 |
US-10364208-B2 | Oxidative coupling of aryl boron reagents with SP3-carbon nucleophiles, and ambient decarboxylative arylation of malonate half-esters via oxidative catalysis | 20170105 |
US-2018186721-A1 | Oxidative coupling of aryl boron reagents with sp3-carbon nucleophiles, and ambient decarboxylative arylation of malonate half-esters via oxidative catalysis | 20170105 |
EP-3181545-A1 | Method for producing triphenylbutene derivative | 20140916 |
Complexity: | 227 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 206.094294304 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 206.094294304 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 43.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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