2-Ethyl-2,4-dihydro-1,4-benzoxazin-3-one - CAS 90921-75-8
Catalog: |
BB063300 |
Product Name: |
2-Ethyl-2,4-dihydro-1,4-benzoxazin-3-one |
CAS: |
90921-75-8 |
Synonyms: |
2-Ethyl-2H-benzo[b][1,4]oxazin-3(4H)-one; 2-Ethyl-2,4-dihydro-1,4-benzoxazin-3-one; 2-ethyl-4H-1,4-benzoxazin-3-one; 2-ethyl-2H-1,4-benzoxazin-3(4H)-one; 2H-1,4-Benzoxazin-3(4H)-one, 2-ethyl-; 2-ethyl-1,4-benzoxazin-3-one |
IUPAC Name: | 2-ethyl-4H-1,4-benzoxazin-3-one |
Description: | 2-Ethyl-2,4-dihydro-1,4-benzoxazin-3-one |
Molecular Weight: | 177.2 |
Molecular Formula: | C10H11NO2 |
Canonical SMILES: | CCC1C(=O)NC2=CC=CC=C2O1 |
InChI: | InChI=1S/C10H11NO2/c1-2-8-10(12)11-7-5-3-4-6-9(7)13-8/h3-6,8H,2H2,1H3,(H,11,12) |
InChI Key: | YQXGFJCQBYVUCA-UHFFFAOYSA-N |
Complexity: | 205 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 177.078978594 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 177.078978594 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 38.3Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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