Dimethyl Isopropylmalonate - CAS 51122-91-9
Catalog: |
BB027337 |
Product Name: |
Dimethyl Isopropylmalonate |
CAS: |
51122-91-9 |
Synonyms: |
2-propan-2-ylpropanedioic acid dimethyl ester; dimethyl 2-propan-2-ylpropanedioate |
IUPAC Name: | dimethyl 2-propan-2-ylpropanedioate |
Description: | Dimethyl Isopropylmalonate (CAS# 51122-91-9) is a useful research chemical. |
Molecular Weight: | 174.19 |
Molecular Formula: | C8H14O4 |
Canonical SMILES: | CC(C)C(C(=O)OC)C(=O)OC |
InChI: | InChI=1S/C8H14O4/c1-5(2)6(7(9)11-3)8(10)12-4/h5-6H,1-4H3 |
InChI Key: | HVNFMZHHKRLLNH-UHFFFAOYSA-N |
LogP: | 0.60460 |
Publication Number | Title | Priority Date |
CN-110511141-A | A kind of synthetic method of apronal | 20190909 |
CN-109721448-B | Method for preparing alkyl derivative by liquid-phase oxidative carbonylation of methyl tert-butyl ether | 20190103 |
JP-2020059693-A | Method for preparing appronal and its intermediates | 20181004 |
WO-2019179652-A1 | Aminopyrimidine derivatives as ctps1 inhibitors | 20180323 |
WO-2019180244-A1 | Aminopyrimidine derivatives as ctps1 inhibitors | 20180323 |
Complexity: | 158 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 174.08920892 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 174.08920892 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 52.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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