6-Ethynyl-4-methyl-3,4-dihydro-2H-benzo[b][1,4]oxazine - CAS 1816951-03-7
Catalog: |
BB013824 |
Product Name: |
6-Ethynyl-4-methyl-3,4-dihydro-2H-benzo[b][1,4]oxazine |
CAS: |
1816951-03-7 |
Synonyms: |
6-ethynyl-4-methyl-2,3-dihydro-1,4-benzoxazine; 6-ethynyl-4-methyl-2,3-dihydro-1,4-benzoxazine |
IUPAC Name: | 6-ethynyl-4-methyl-2,3-dihydro-1,4-benzoxazine |
Description: | 6-Ethynyl-4-methyl-3,4-dihydro-2H-benzo[b][1,4]oxazine (CAS# 1816951-03-7 ) is a useful research chemical. |
Molecular Weight: | 173.21 |
Molecular Formula: | C11H11NO |
Canonical SMILES: | CN1CCOC2=C1C=C(C=C2)C#C |
InChI: | InChI=1S/C11H11NO/c1-3-9-4-5-11-10(8-9)12(2)6-7-13-11/h1,4-5,8H,6-7H2,2H3 |
InChI Key: | CQUHSIMXTNPCOD-UHFFFAOYSA-N |
Complexity: | 230 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 173.084063974 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 173.084063974 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 12.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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