6-Ethynyl-2H-benzo[b][1,4]oxazin-3(4H)-one - CAS 627870-58-0
Catalog: |
BB031796 |
Product Name: |
6-Ethynyl-2H-benzo[b][1,4]oxazin-3(4H)-one |
CAS: |
627870-58-0 |
Synonyms: |
6-ethynyl-4H-1,4-benzoxazin-3-one; 6-ethynyl-4H-1,4-benzoxazin-3-one |
IUPAC Name: | 6-ethynyl-4H-1,4-benzoxazin-3-one |
Description: | 6-Ethynyl-2H-benzo[b][1,4]oxazin-3(4H)-one (CAS# 627870-58-0 ) is a useful research chemical. |
Molecular Weight: | 173.17 |
Molecular Formula: | C10H7NO2 |
Canonical SMILES: | C#CC1=CC2=C(C=C1)OCC(=O)N2 |
InChI: | InChI=1S/C10H7NO2/c1-2-7-3-4-9-8(5-7)11-10(12)6-13-9/h1,3-5H,6H2,(H,11,12) |
InChI Key: | FREJWUFPRNLYFG-UHFFFAOYSA-N |
LogP: | 1.13680 |
Publication Number | Title | Priority Date |
JP-2005530800-A | Benzoxazine and benzoxazinone substituted triazoles | 20020515 |
US-2005165011-A1 | Benzoxazine and benzoxazinone substituted triazoles | 20020515 |
Complexity: | 265 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 173.047678466 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 173.047678466 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 38.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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