Benzyl 3-Hydroxypropionate - CAS 14464-10-9
Catalog: |
BB009812 |
Product Name: |
Benzyl 3-Hydroxypropionate |
CAS: |
14464-10-9 |
Synonyms: |
3-hydroxypropanoic acid (phenylmethyl) ester; benzyl 3-hydroxypropanoate |
IUPAC Name: | benzyl 3-hydroxypropanoate |
Description: | Intermediate in the production of Cyclophosphamide metabolites. |
Molecular Weight: | 180.20 |
Molecular Formula: | C10H12O3 |
Canonical SMILES: | C1=CC=C(C=C1)COC(=O)CCO |
InChI: | InChI=1S/C10H12O3/c11-7-6-10(12)13-8-9-4-2-1-3-5-9/h1-5,11H,6-8H2 |
InChI Key: | RDRDBYYUPACJJT-UHFFFAOYSA-N |
Appearance: | Liquid |
LogP: | 1.11220 |
Publication Number | Title | Priority Date |
WO-2021108683-A1 | Covalent ras inhibitors and uses thereof | 20191127 |
US-2020352887-A1 | Hmgb1 antagonist | 20190509 |
US-2020353037-A1 | Hmgb1 antagonist treatment of diabetic peripheral neuropathy | 20190509 |
US-2020354404-A1 | Peptidomimetic agents, synthesis and uses thereof | 20190509 |
US-2020354418-A1 | Hmgb1 antagonist treatment of acute lung injury | 20190509 |
Complexity: | 150 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.078644241 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.078644241 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 46.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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