4-tert-Butyl-5-methoxy-o-benzoquinone - CAS 36122-03-9
Catalog: |
BB022870 |
Product Name: |
4-tert-Butyl-5-methoxy-o-benzoquinone |
CAS: |
36122-03-9 |
Synonyms: |
4-tert-butyl-5-methoxycyclohexa-3,5-diene-1,2-dione |
IUPAC Name: | 4-tert-butyl-5-methoxycyclohexa-3,5-diene-1,2-dione |
Description: | 4-tert-Butyl-5-methoxy-o-benzoquinone (CAS# 36122-03-9 ) is a useful research chemical. |
Molecular Weight: | 194.23 |
Molecular Formula: | C11H14O3 |
Canonical SMILES: | CC(C)(C)C1=CC(=O)C(=O)C=C1OC |
InChI: | InChI=1S/C11H14O3/c1-11(2,3)7-5-8(12)9(13)6-10(7)14-4/h5-6H,1-4H3 |
InChI Key: | CWFFIAHHCALISQ-UHFFFAOYSA-N |
Boiling Point: | 295 ℃ at 760 mmHg |
Purity: | ≥ 98 % |
Density: | 1.08 g/cm3 |
LogP: | 1.64100 |
Publication Number | Title | Priority Date |
WO-2019229228-A1 | Method for treating dissolving pulp using lytic polysaccharide monooxygenase | 20180531 |
CA-3095431-A1 | Method for treating dissolving pulp using lytic polysaccharide monooxygenase | 20180531 |
CN-112313378-A | Method for treating dissolving pulp by using soluble polysaccharide monooxygenase | 20180531 |
EP-3802953-A1 | Method for treating dissolving pulp using lytic polysaccharide monooxygenase | 20180531 |
US-2021207321-A1 | Method for treating dissolving pulp | 20180531 |
Complexity: | 340 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 194.094294304 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.094294304 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 43.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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