Benzyl 3-Hydroxy-2,2-dimethylpropionate - CAS 17701-61-0
Catalog: |
BB013268 |
Product Name: |
Benzyl 3-Hydroxy-2,2-dimethylpropionate |
CAS: |
17701-61-0 |
Synonyms: |
3-hydroxy-2,2-dimethylpropanoic acid (phenylmethyl) ester; benzyl 3-hydroxy-2,2-dimethylpropanoate |
IUPAC Name: | benzyl 3-hydroxy-2,2-dimethylpropanoate |
Description: | Benzyl 3-Hydroxy-2,2-dimethylpropionate (CAS# 17701-61-0) is a useful research chemical. |
Molecular Weight: | 208.25 |
Molecular Formula: | C12H16O3 |
Canonical SMILES: | CC(C)(CO)C(=O)OCC1=CC=CC=C1 |
InChI: | InChI=1S/C12H16O3/c1-12(2,9-13)11(14)15-8-10-6-4-3-5-7-10/h3-7,13H,8-9H2,1-2H3 |
InChI Key: | PLZZXRKTRWITII-UHFFFAOYSA-N |
LogP: | 1.74830 |
Publication Number | Title | Priority Date |
TW-202005532-A | Novel compounds for controlling arthropods | 20180705 |
WO-2020007704-A1 | Novel compounds for controlling arthropods | 20180705 |
AU-2019298306-A1 | Novel compounds for controlling arthropods | 20180705 |
BR-112021000028-A2 | INNOVATIVE COMPOUNDS TO CONTROL ARTHROPODS | 20180705 |
CA-3105234-A1 | Novel compounds for controlling arthropods | 20180705 |
Complexity: | 205 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 208.109944368 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 208.109944368 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 46.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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