6-Ethynyl-3,4-dihydro-2H-benzo[b][1,4]oxazine - CAS 627870-75-1
Catalog: |
BB031797 |
Product Name: |
6-Ethynyl-3,4-dihydro-2H-benzo[b][1,4]oxazine |
CAS: |
627870-75-1 |
Synonyms: |
6-ethynyl-3,4-dihydro-2H-1,4-benzoxazine; 6-ethynyl-3,4-dihydro-2H-1,4-benzoxazine |
IUPAC Name: | 6-ethynyl-3,4-dihydro-2H-1,4-benzoxazine |
Description: | 6-Ethynyl-3,4-dihydro-2H-benzo[b][1,4]oxazine (CAS# 627870-75-1) is a useful research chemical. |
Molecular Weight: | 159.18 |
Molecular Formula: | C10H9NO |
Canonical SMILES: | C#CC1=CC2=C(C=C1)OCCN2 |
InChI: | InChI=1S/C10H9NO/c1-2-8-3-4-10-9(7-8)11-5-6-12-10/h1,3-4,7,11H,5-6H2 |
InChI Key: | OYPYTRGPZQHMKQ-UHFFFAOYSA-N |
LogP: | 1.61020 |
Publication Number | Title | Priority Date |
AU-2017222908-A1 | Novel condensed pyrimidine compound or salt thereof | 20160223 |
AU-2017222908-A2 | Novel condensed pyrimidine compound or salt thereof | 20160223 |
EP-1506191-A1 | Benzoxazine and benzoxazinone substituted triazoles | 20020515 |
US-2005165011-A1 | Benzoxazine and benzoxazinone substituted triazoles | 20020515 |
WO-03097639-A1 | Benzoxazine and benzoxazinone substituted triazoles | 20020515 |
Complexity: | 205 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 159.068413911 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 159.068413911 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 21.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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