Methyl Benzo[d]isoxazole-3-carboxylate - CAS 1082682-56-1
Catalog: |
BB002215 |
Product Name: |
Methyl Benzo[d]isoxazole-3-carboxylate |
CAS: |
1082682-56-1 |
Synonyms: |
1,2-benzoxazole-3-carboxylic acid methyl ester; methyl 1,2-benzoxazole-3-carboxylate |
IUPAC Name: | methyl 1,2-benzoxazole-3-carboxylate |
Description: | Methyl Benzo[d]isoxazole-3-carboxylate (CAS# 1082682-56-1) is a useful research chemical. |
Molecular Weight: | 177.16 |
Molecular Formula: | C9H7NO3 |
Canonical SMILES: | COC(=O)C1=NOC2=CC=CC=C21 |
InChI: | InChI=1S/C9H7NO3/c1-12-9(11)8-6-4-2-3-5-7(6)13-10-8/h2-5H,1H3 |
InChI Key: | UJTKCKAJUPJNFM-UHFFFAOYSA-N |
LogP: | 1.61440 |
Publication Number | Title | Priority Date |
TW-201945355-A | Condensed cyclic urea derivatives as CRHR2 antagonists | 20180409 |
TW-200906823-A | Compounds and methods for modulating FXR | 20070716 |
CZ-290961-B6 | Isoxazole derivatives, process and intermediate for their preparation | 19940830 |
JP-H0959264-A | Isoxazoles | 19940830 |
WO-9606837-A1 | Isoxazoles | 19940830 |
Complexity: | 207 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 177.042593085 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 177.042593085 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 52.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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