Diethyl cyclobutane-1,1-dicarboxylate - CAS 3779-29-1
Catalog: |
BB023421 |
Product Name: |
Diethyl cyclobutane-1,1-dicarboxylate |
CAS: |
3779-29-1 |
Synonyms: |
diethyl cyclobutane-1,1-dicarboxylate |
IUPAC Name: | diethyl cyclobutane-1,1-dicarboxylate |
Description: | Intermediate in the production of Carboplatin. |
Molecular Weight: | 200.23 |
Molecular Formula: | C10H16O4 |
Canonical SMILES: | CCOC(=O)C1(CCC1)C(=O)OCC |
InChI: | InChI=1S/C10H16O4/c1-3-13-8(11)10(6-5-7-10)9(12)14-4-2/h3-7H2,1-2H3 |
InChI Key: | JPNJEJSZSMXWSV-UHFFFAOYSA-N |
Boiling Point: | 104 ℃ (12 torr) |
Density: | 1.05 g/mL at 20 ℃(lit.) |
Appearance: | Colorless clear liquid |
MDL: | MFCD00019261 |
LogP: | 1.28290 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020244637-A1 | Tricyclic compounds and their use | 20190606 |
EP-3484878-A1 | Bicyclic heteroaryl substituted compounds | 20160714 |
JP-2019528247-A | Bicyclic heteroaryl substituted compounds | 20160714 |
KR-20190027385-A | Bicyclic heteroaryl substituted compounds | 20160714 |
US-2019292176-A1 | Bicyclic heteroaryl substituted compounds | 20160714 |
Complexity: | 210 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 200.10485899 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 200.10485899 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 52.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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