Ethyl 3-Acetylbenzoate - CAS 37847-24-8
Catalog: |
BB023444 |
Product Name: |
Ethyl 3-Acetylbenzoate |
CAS: |
37847-24-8 |
Synonyms: |
3-acetylbenzoic acid ethyl ester; ethyl 3-acetylbenzoate |
IUPAC Name: | ethyl 3-acetylbenzoate |
Description: | Ethyl 3-Acetylbenzoate (CAS# 37847-24-8) is a useful research chemical. |
Molecular Weight: | 192.21 |
Molecular Formula: | C11H12O3 |
Canonical SMILES: | CCOC(=O)C1=CC=CC(=C1)C(=O)C |
InChI: | InChI=1S/C11H12O3/c1-3-14-11(13)10-6-4-5-9(7-10)8(2)12/h4-7H,3H2,1-2H3 |
InChI Key: | KHTGDCLCPJJWEY-UHFFFAOYSA-N |
Boiling Point: | 306.1 ℃ at 760 mmHg |
Density: | 1.096 g/cm3 |
MDL: | MFCD02261283 |
LogP: | 2.06590 |
Publication Number | Title | Priority Date |
CN-109678707-A | A kind of deuterium-labeled D3The synthetic method of salbutamol | 20190122 |
WO-2017147047-A1 | Fxr modulators and methods of their use | 20160222 |
CN-108348525-A | The medical usage of oxipurinol class compound | 20151029 |
WO-2017071606-A1 | Medical use of hydroxyl purine compound | 20151029 |
CN-108348525-B | Medical application of hydroxyl purine compound | 20151029 |
Complexity: | 223 |
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: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 192.078644241 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 43.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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