Methyl 6-Benzoxazolecarboxylate - CAS 1305711-40-3
Catalog: |
BB007138 |
Product Name: |
Methyl 6-Benzoxazolecarboxylate |
CAS: |
1305711-40-3 |
Synonyms: |
1,3-benzoxazole-6-carboxylic acid methyl ester; methyl 1,3-benzoxazole-6-carboxylate |
IUPAC Name: | methyl 1,3-benzoxazole-6-carboxylate |
Description: | Methyl 6-Benzoxazolecarboxylate (CAS# 1305711-40-3) is a useful research chemical. |
Molecular Weight: | 177.16 |
Molecular Formula: | C9H7NO3 |
Canonical SMILES: | COC(=O)C1=CC2=C(C=C1)N=CO2 |
InChI: | InChI=1S/C9H7NO3/c1-12-9(11)6-2-3-7-8(4-6)13-5-10-7/h2-5H,1H3 |
InChI Key: | QIZBJGJDALUIEN-UHFFFAOYSA-N |
MDL: | MFCD14635902 |
LogP: | 1.61440 |
Publication Number | Title | Priority Date |
JP-2021500322-A | Piperazine derivatives as MAGL inhibitors | 20171010 |
CN-102036972-A | Treatment of duchenne muscular dystrophy | 20070815 |
AU-2006286573-A1 | Benzooxazole, oxazolopyridine, benzothiazole and thiazolopyridine derivatives | 20050902 |
AU-2006286573-B2 | Benzooxazole, oxazolopyridine, benzothiazole and thiazolopyridine derivatives | 20050902 |
WO-2007020936-A1 | Bicyclo heterocyclic compound having antifungal action | 20050817 |
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: | 1.6 |
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