Ethyl 2,4,6-Trimethylbenzoate - CAS 1754-55-8
Catalog: |
BB013141 |
Product Name: |
Ethyl 2,4,6-Trimethylbenzoate |
CAS: |
1754-55-8 |
Synonyms: |
2,4,6-trimethylbenzoic acid ethyl ester; ethyl 2,4,6-trimethylbenzoate |
IUPAC Name: | ethyl 2,4,6-trimethylbenzoate |
Description: | Ethyl 2,4,6-Trimethylbenzoate (CAS# 1754-55-8) is a useful research chemical. |
Molecular Weight: | 192.25 |
Molecular Formula: | C12H16O2 |
Canonical SMILES: | CCOC(=O)C1=C(C=C(C=C1C)C)C |
InChI: | InChI=1S/C12H16O2/c1-5-14-12(13)11-9(3)6-8(2)7-10(11)4/h6-7H,5H2,1-4H3 |
InChI Key: | ZXTXIZPSMQCYBN-UHFFFAOYSA-N |
Boiling Point: | 121 ℃ / 7 mmHg, 257.8 ℃ at 760 mmHg |
Density: | 0.997 g/cm3 |
MDL: | MFCD00015439 |
LogP: | 2.78850 |
Publication Number | Title | Priority Date |
US-2020087540-A1 | Shrink wrap labels for shaped articles | 20180914 |
US-10858545-B2 | Shrink wrap labels for shaped articles | 20180914 |
US-2021087432-A1 | Shrink wrap labels for shaped articles | 20180914 |
CN-112189009-A | Chromene derivatives as inhibitors of TCR-NCK interaction | 20180227 |
CN-108047963-A | Photocuring glue | 20171227 |
Complexity: | 189 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 192.115029749 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 192.115029749 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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