2,6-Dimethyl-3,4-dihydro-2H-1,4-benzoxazine - CAS 58959-93-6
Catalog: |
BB062977 |
Product Name: |
2,6-Dimethyl-3,4-dihydro-2H-1,4-benzoxazine |
CAS: |
58959-93-6 |
Synonyms: |
2,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazine; 2,6-Dimethyl-3,4-dihydro-2H-benzo[b][1,4]oxazine |
IUPAC Name: | 2,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazine |
Description: | 2,6-Dimethyl-3,4-dihydro-2H-1,4-benzoxazine |
Molecular Weight: | 163.22 |
Molecular Formula: | C10H13NO |
Canonical SMILES: | CC1CNC2=C(O1)C=CC(=C2)C |
InChI: | InChI=1S/C10H13NO/c1-7-3-4-10-9(5-7)11-6-8(2)12-10/h3-5,8,11H,6H2,1-2H3 |
InChI Key: | DDPNTMHBTQBGAG-UHFFFAOYSA-N |
Complexity: | 160 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 163.099714038 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 163.099714038 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 21.3Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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