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RS 11L
CAS: 108-46-3 | C6H6O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
108-46-3
Molecular Formula:
C6H6O2
Molecular Weight:
110.11199999999998 g/mol
Names and Synonyms:
RS 11L
RS 11H
Resorcinol
1,3-Benzenediol
Resorcinol
C.I. 76505
m-Benzenediol
C.I. Developer 4
C.I. Oxidation Base 31
Developer O
Developer R
Developer RS
Durafur Developer G
Fouramine RS
Fourrine 79
Fourrine EW
Nako TGG
Pelagol Grey RS
Pelagol RS
Resorcin
1,3-Dihydroxybenzene
m-Hydroquinone
m-Hydroxyphenol
3-Hydroxyphenol
Reso
m-Phenylenediol
m-Dihydroxybenzene
m-Hydroxyphenol
Rodol RS
NSC 1571
Redimix 401RAP60
Rezorsine
Resorcinol 80
1,3-Phenylenediol
m-Resorcinol
Cohedur RS
KH 8420
Identifiers:
SMILES:
Oc1cccc(O)c1
InChI:
InChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 110.11199999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 110.036779432 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 8 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 40.46 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.0977999999999999 | RDKit |
| molecular_mass | 110.11 g/mol | Legacy Database |
| density | 1.27 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Resorcinol None | Legacy Database |
| cas-boiling-point | 280 °C None | Legacy Database |
| cas-canonical-smile | OC1=CC=CC(O)=C1 None | Legacy Database |
| cas-density | 1.2717 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H None | Legacy Database |
| cas-inchi-key | InChIKey=GHMLBKRAJCXXBS-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 109-111 °C None | Legacy Database |
| cas-name | Resorcinol None | Legacy Database |
| wikipedia-name | Resorcinol None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 29.771599999999992 | RDKit |
