Methyl Benzoxazole-7-carboxylate - CAS 1086378-35-9
Catalog: |
BB002296 |
Product Name: |
Methyl Benzoxazole-7-carboxylate |
CAS: |
1086378-35-9 |
Synonyms: |
1,3-benzoxazole-7-carboxylic acid methyl ester; methyl 1,3-benzoxazole-7-carboxylate |
IUPAC Name: | methyl 1,3-benzoxazole-7-carboxylate |
Description: | Methyl Benzoxazole-7-carboxylate (CAS# 1086378-35-9) is a useful research chemical. |
Molecular Weight: | 177.16 |
Molecular Formula: | C9H7NO3 |
Canonical SMILES: | COC(=O)C1=C2C(=CC=C1)N=CO2 |
InChI: | InChI=1S/C9H7NO3/c1-12-9(11)6-3-2-4-7-8(6)13-5-10-7/h2-5H,1H3 |
InChI Key: | SVWYSYMOKICPBK-UHFFFAOYSA-N |
Storage: | Sealed in dry, 2-8 °C |
MDL: | MFCD11042246 |
LogP: | 1.61440 |
Publication Number | Title | Priority Date |
WO-2020043880-A1 | Heterocyclic compounds as ahr modulators | 20180831 |
EP-3843853-A1 | Heterocyclic compounds as ahr modulators | 20180831 |
KR-20210053911-A | Heterocyclic compounds as AHR modulators | 20180831 |
KR-102168543-B1 | Isoxazole derivatives as nuclear receptor agonist and uses thereof | 20170412 |
KR-20200123051-A | Isoxazole derivatives as nuclear receptor agonist and uses thereof | 20170412 |
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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