Back to Search
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 Weight:
151.165 g/mol
Names and Synonyms:
6-Hydroxybenzomorpholine
2H-1,4-Benzoxazin-6-ol, 3,4-dihydro-
3,4-Dihydro-2H-1,4-benzoxazin-6-ol
6-Hydroxyphenomorpholine
6-Hydroxybenzomorpholine
3,4-Dihydro-6-hydroxy-1,4(2H)-benzoxazine
3,4-Dihydro-2H-benzo-[b][1,4]oxazin-6-ol
3,4-Dihydro-2H-benzo[1,4]oxazin-6-ol
3,4-Dihydro-2H-benzo[b][1,4]oxazin-6-ol
Identifiers:
SMILES:
Oc1ccc2c(c1)NCCO2
InChI:
InChI=1S/C8H9NO2/c10-6-1-2-8-7(5-6)9-3-4-11-8/h1-2,5,9-10H,3-4H2
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Category | Property | Value | Source |
|---|---|---|---|
| Molecular | Molecular Weight | 151.165 g/mol | RDKit |
| Exact | Exact Molecular Weight | 151.063328528 g/mol | RDKit |
| Heavy | Heavy Atom Count | 11 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit | |
| Rotatable | Rotatable Bonds | 0 count | RDKit |
| Aromatic | Aromatic Ring Count | 1 count | RDKit |
| Topological | Topological Polar Surface Area | 41.489999999999995 Ų | RDKit |
| Physical Properties | LogP | 1.1965000000000001 | RDKit |
| molecular_mass | 151.17 g/mol | Legacy Database | |
| cas-canonical-smile | OC1=CC=C2OCCNC2=C1 | Legacy Database | |
| cas-inchi | InChI=1S/C8H9NO2/c10-6-1-2-8-7(5-6)9-3-4-11-8/h1-2,5,9-10H,3-4H2 | Legacy Database | |
| cas-inchi-key | InChIKey=HWWIVWKTKZAORO-UHFFFAOYSA-N | Legacy Database | |
| cas-name | 6-Hydroxybenzomorpholine | Legacy Database | |
| Molar | Molar Refractivity | 42.09150000000002 | RDKit |
