Dimethyl Tetrahydropyran-4,4-dicarboxylate - CAS 149777-00-4
Catalog: |
BB010445 |
Product Name: |
Dimethyl Tetrahydropyran-4,4-dicarboxylate |
CAS: |
149777-00-4 |
Synonyms: |
oxane-4,4-dicarboxylic acid dimethyl ester; dimethyl oxane-4,4-dicarboxylate |
IUPAC Name: | dimethyl oxane-4,4-dicarboxylate |
Description: | Dimethyl Tetrahydropyran-4,4-dicarboxylate (CAS# 149777-00-4) is a useful research chemical. |
Molecular Weight: | 202.20 |
Molecular Formula: | C9H14O5 |
Canonical SMILES: | COC(=O)C1(CCOCC1)C(=O)OC |
InChI: | InChI=1S/C9H14O5/c1-12-7(10)9(8(11)13-2)3-5-14-6-4-9/h3-6H2,1-2H3 |
InChI Key: | OTIZXJJKKRZQJR-UHFFFAOYSA-N |
Boiling Point: | 238.235 ℃ at 760 mmHg |
Density: | 1.18 g/cm3 |
Appearance: | Colorless clear liquid |
MDL: | MFCD11977821 |
LogP: | 0.12920 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020014332-A1 | Adenosine receptor binding compounds | 20180710 |
EP-3820474-A1 | Adenosine receptor binding compounds | 20180710 |
CA-3066698-A1 | Novel compounds activating the nrf2 pathway | 20170808 |
CN-110997695-A | Novel compounds that activate the Nrf2 pathway | 20170808 |
EP-3665182-A1 | Novel compounds activating the nrf2 pathway | 20170808 |
Complexity: | 211 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 202.08412354 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 202.08412354 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 61.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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