1,5-Pentanedioic Acid Monobenzyl Ester - CAS 54322-10-0
Catalog: |
BB028600 |
Product Name: |
1,5-Pentanedioic Acid Monobenzyl Ester |
CAS: |
54322-10-0 |
Synonyms: |
5-oxo-5-phenylmethoxypentanoic acid; 5-oxo-5-phenylmethoxypentanoic acid |
IUPAC Name: | 5-oxo-5-phenylmethoxypentanoic acid |
Description: | 1,5-Pentanedioic Acid Monobenzyl Ester (CAS# 54322-10-0) is a useful reagent for organic synthesis. |
Molecular Weight: | 222.24 |
Molecular Formula: | C12H14O4 |
Canonical SMILES: | C1=CC=C(C=C1)COC(=O)CCCC(=O)O |
InChI: | InChI=1S/C12H14O4/c13-11(14)7-4-8-12(15)16-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,13,14) |
InChI Key: | WRSDJJXJDSEUSQ-UHFFFAOYSA-N |
LogP: | 1.62220 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021183913-A1 | Fentanyl haptens, fentanyl hapten conjugates, and methods for making and using | 20200313 |
WO-2021156792-A1 | Targeted plasma protein degradation | 20200207 |
WO-2021153687-A1 | Nucleic acid complex and pharmaceutical composition containing same | 20200130 |
WO-2021150792-A1 | Novel compounds and composition for targeted therapy of kidney-associated cancers | 20200121 |
WO-2021072330-A1 | Galnac-tgfbr1 inhibitor conjugates for the treatment of liver diseases | 20191009 |
PMID | Publication Date | Title | Journal |
21202925 | 20080619 | Cytenamide-butyric acid (1/1) | Acta crystallographica. Section E, Structure reports online |
Complexity: | 231 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 222.08920892 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 222.08920892 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 63.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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