6-Methylbenzoxazol-2(3H)-one - CAS 22876-16-0
Catalog: |
BB017785 |
Product Name: |
6-Methylbenzoxazol-2(3H)-one |
CAS: |
22876-16-0 |
Synonyms: |
6-methyl-3H-1,3-benzoxazol-2-one; 6-methyl-3H-1,3-benzoxazol-2-one |
IUPAC Name: | 6-methyl-3H-1,3-benzoxazol-2-one |
Description: | 6-Methylbenzoxazol-2(3H)-one (CAS# 22876-16-0) is a useful research chemical. |
Molecular Weight: | 149.15 |
Molecular Formula: | C8H7NO2 |
Canonical SMILES: | CC1=CC2=C(C=C1)NC(=O)O2 |
InChI: | InChI=1S/C8H7NO2/c1-5-2-3-6-7(4-5)11-8(10)9-6/h2-4H,1H3,(H,9,10) |
InChI Key: | SAQACWOVZKNHSB-UHFFFAOYSA-N |
Density: | 1.259 g/cm3 |
MDL: | MFCD02090051 |
LogP: | 1.42950 |
GHS Hazard Statement: | H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]; H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021136429-A1 | Benzopyrazole compound | 20191231 |
WO-2021108803-A1 | Fused pyrimidine pyridinone compounds as jak inhibitors | 20191126 |
WO-2021101854-A1 | Compounds and methods of preparing compounds s1p1 modulators | 20191119 |
WO-2021046183-A1 | Methods of treating epilepsy using the same | 20190905 |
WO-2021002986-A2 | Bax inhibitors and uses thereof | 20190531 |
PMID | Publication Date | Title | Journal |
22588631 | 20120701 | Synthesis and biological activities of some 1,3-benzoxazol-2(3H)-one derivatives as anti-quorum sensing agents | Arzneimittel-Forschung |
Complexity: | 181 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 149.047678466 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 149.047678466 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 38.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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Related Functional Groups
Benzoxazole/Benzothiazole
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