Methyl 4-Benzoylbutyrate - CAS 1501-04-8
Catalog: |
BB010485 |
Product Name: |
Methyl 4-Benzoylbutyrate |
CAS: |
1501-04-8 |
Synonyms: |
5-oxo-5-phenylpentanoic acid methyl ester; methyl 5-oxo-5-phenylpentanoate |
IUPAC Name: | methyl 5-oxo-5-phenylpentanoate |
Description: | Methyl 4-Benzoylbutyrate (CAS# 1501-04-8) is a useful research chemical. |
Molecular Weight: | 206.24 |
Molecular Formula: | C12H14O3 |
Canonical SMILES: | COC(=O)CCCC(=O)C1=CC=CC=C1 |
InChI: | InChI=1S/C12H14O3/c1-15-12(14)9-5-8-11(13)10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3 |
InChI Key: | GRIWFUFDJOESIC-UHFFFAOYSA-N |
Boiling Point: | 322.4 ℃ at 760 mmHg |
Density: | 1.082 g/cm3 |
MDL: | MFCD00043757 |
LogP: | 2.21260 |
Publication Number | Title | Priority Date |
JP-2021095376-A | Method for producing metanofullerene derivative | 20191219 |
JP-2020196771-A | Method for forming composition, resist underlayer film, resist underlayer film, and method for producing patterned substrate | 20190530 |
WO-2020118060-A1 | Neuroactive steroids and their methods of use | 20181205 |
TW-202039528-A | Neuroactive steroids and their methods of use | 20181205 |
CN-113383004-A | Neuroactive steroids and methods of use thereof | 20181205 |
Complexity: | 217 |
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: | 6 |
Topological Polar Surface Area: | 43.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS