3-Methyl-2-benzoxazolinone - CAS 21892-80-8
Catalog: |
BB017188 |
Product Name: |
3-Methyl-2-benzoxazolinone |
CAS: |
21892-80-8 |
Synonyms: |
3-methyl-1,3-benzoxazol-2-one |
IUPAC Name: | 3-methyl-1,3-benzoxazol-2-one |
Description: | 3-Methyl-2-benzoxazolinone (CAS# 21892-80-8) is a useful research chemical. |
Molecular Weight: | 149.15 |
Molecular Formula: | C8H7NO2 |
Canonical SMILES: | CN1C2=CC=CC=C2OC1=O |
InChI: | InChI=1S/C8H7NO2/c1-9-6-4-2-3-5-7(6)11-8(9)10/h2-5H,1H3 |
InChI Key: | QRMRRLXXFHXMBC-UHFFFAOYSA-N |
Boiling Point: | 238.1 °C at 760 mmHg |
Density: | 1.273 g/cm3 |
LogP: | 1.13150 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-3722386-A1 | Method for adhesively bonding a heat stable substrate using a surface temperature controlled heating device | 20190408 |
EP-3670565-A1 | Coatable heat curing epoxy resin adhesives | 20181218 |
US-2020102303-A1 | Monoacylglycerol Lipase Modulators | 20180928 |
WO-2020065613-A1 | Monoacylglycerol lipase modulators | 20180928 |
WO-2020056090-A1 | Fungicidal halomethyl ketones and hydrates | 20180914 |
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: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 149.047678466 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 29.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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