Back to Search
Molecule
6-Hydroxybenzomorpholine
CAS: 26021-57-8 · C8H9NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 26021-57-8
- Molecular Formula
- C8H9NO2
- Molecular Mass
- 151.17 g/mol
Identifiers
CAS Registry Number
26021-57-8
SMILES
Oc1ccc2c(c1)NCCO2
InChI Key
HWWIVWKTKZAORO-UHFFFAOYSA-N
InChI
InChI=1S/C8H9NO2/c10-6-1-2-8-7(5-6)9-3-4-11-8/h1-2,5,9-10H,3-4H2
Names and Synonyms
- 6-Hydroxybenzomorpholine Synonym
- 2H-1,4-Benzoxazin-6-ol, 3,4-dihydro- Synonym
- 3,4-Dihydro-2H-1,4-benzoxazin-6-ol Synonym
- 6-Hydroxyphenomorpholine Synonym
- 6-Hydroxybenzomorpholine Synonym
- 3,4-Dihydro-6-hydroxy-1,4(2H)-benzoxazine Synonym
- 3,4-Dihydro-2H-benzo-[b][1,4]oxazin-6-ol Synonym
- 3,4-Dihydro-2H-benzo[1,4]oxazin-6-ol Synonym
- 3,4-Dihydro-2H-benzo[b][1,4]oxazin-6-ol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 151.17 g/mol | CAS Common Chemistry |
| 151.165 g/mol | RDKit | |
| Canonical SMILES | OC1=CC=C2OCCNC2=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C8H9NO2/c10-6-1-2-8-7(5-6)9-3-4-11-8/h1-2,5,9-10H,3-4H2 | CAS Common Chemistry |
| InChI Key | InChIKey=HWWIVWKTKZAORO-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 6-Hydroxybenzomorpholine | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 41.489999999999995 Ų | RDKit |
| 41.49 Ų | RDKit | |
| LogP | 1.1965000000000001 | RDKit |
| 1.1965 | RDKit | |
| Molar Refractivity | 42.09150000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 151.063328528 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
Convert
Quick conversion
MW = 151.17 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H9NO2.
