1,4-Oxazepan-6-ol - CAS 933739-97-0
Catalog: |
BB054411 |
Product Name: |
1,4-Oxazepan-6-ol |
CAS: |
933739-97-0 |
Synonyms: |
[1,4]Oxazepan-6-ol; (R)-1,4Oxazepan-6-ol |
IUPAC Name: | 1,4-oxazepan-6-ol |
Molecular Weight: | 117.15 |
Molecular Formula: | C5H11NO2 |
Canonical SMILES: | C1COCC(CN1)O |
InChI: | InChI=1S/C5H11NO2/c7-5-3-6-1-2-8-4-5/h5-7H,1-4H2 |
InChI Key: | AJQUDIYIICBQDR-UHFFFAOYSA-N |
Boiling Point: | 246.8±30.0 °C at 760 mmHg |
Density: | 1.1±0.1 g/cm3 |
Complexity: | 67.4 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 117.078978594 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 117.078978594 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 41.5 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -1.2 |
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