Methyl (S)-2-(4-Hydroxyisoxazolidine-2-carbonyl)benzoate - CAS 272459-61-7
Catalog: |
BB019505 |
Product Name: |
Methyl (S)-2-(4-Hydroxyisoxazolidine-2-carbonyl)benzoate |
CAS: |
272459-61-7 |
Synonyms: |
2-[[(4S)-4-hydroxy-2-isoxazolidinyl]-oxomethyl]benzoic acid methyl ester; methyl 2-[(4S)-4-hydroxy-1,2-oxazolidine-2-carbonyl]benzoate |
IUPAC Name: | methyl 2-[(4S)-4-hydroxy-1,2-oxazolidine-2-carbonyl]benzoate |
Description: | Methyl (S)-2-(4-Hydroxyisoxazolidine-2-carbonyl)benzoate (CAS# 272459-61-7 ) is a useful research chemical. |
Molecular Weight: | 251.24 |
Molecular Formula: | C12H13NO5 |
Canonical SMILES: | COC(=O)C1=CC=CC=C1C(=O)N2CC(CO2)O |
InChI: | InChI=1S/C12H13NO5/c1-17-12(16)10-5-3-2-4-9(10)11(15)13-6-8(14)7-18-13/h2-5,8,14H,6-7H2,1H3/t8-/m0/s1 |
InChI Key: | RWKNVCIZFHCRKR-QMMMGPOBSA-N |
LogP: | 0.15940 |
Publication Number | Title | Priority Date |
EP-3601275-A1 | Insecticidal compounds | 20170323 |
US-2020031817-A1 | Insecticidal compounds | 20170323 |
WO-2018172477-A1 | Insecticidal compounds | 20170323 |
US-11104671-B2 | Insecticidal compounds | 20170323 |
CA-2997695-A1 | Isoxazoline-substituted benzamides and analogues as insecticides | 20150923 |
Complexity: | 332 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 251.07937252 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 251.07937252 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 76.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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