4-(Benzyloxy)-3-oxobutanoic Acid - CAS 67354-37-4
Catalog: |
BB033259 |
Product Name: |
4-(Benzyloxy)-3-oxobutanoic Acid |
CAS: |
67354-37-4 |
Synonyms: |
3-oxo-4-phenylmethoxybutanoic acid; 3-oxo-4-phenylmethoxybutanoic acid |
IUPAC Name: | 3-oxo-4-phenylmethoxybutanoic acid |
Description: | 4-(Benzyloxy)-3-oxobutanoic Acid (CAS# 67354-37-4 ) is a useful research chemical. |
Molecular Weight: | 208.21 |
Molecular Formula: | C11H12O4 |
Canonical SMILES: | C1=CC=C(C=C1)COCC(=O)CC(=O)O |
InChI: | InChI=1S/C11H12O4/c12-10(6-11(13)14)8-15-7-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,13,14) |
InChI Key: | ORYURBMWVSADFI-UHFFFAOYSA-N |
MDL: | MFCD28099725 |
LogP: | 1.24700 |
Publication Number | Title | Priority Date |
WO-2021123785-A1 | Dna polymerase theta inhibitors | 20191217 |
CN-111303146-A | 3-cyanopyridine compound, pharmaceutical composition containing same, preparation method and application thereof | 20181211 |
EP-3045461-A1 | Processes for preparing dolutegravir and analogues thereof | 20150116 |
EP-3245211-A1 | Processes for preparing dolutegravir and cabotegravir and analogues thereof | 20150116 |
US-10335394-B2 | Processes for preparing dolutegravir and cabotegravir and analogues thereof | 20150116 |
Complexity: | 219 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 208.07355886 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 208.07355886 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 63.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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