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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
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 151.17 g/mol | CAS Common Chemistry |
| 151.165 g/mol | RDKit | |
| 151.063328528 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 |
| LogP | 1.1965000000000001 | RDKit |
| Molar Refractivity | 42.09150000000002 | RDKit |
