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Molecule
Resorcinol
CAS: 108-46-3 · C6H6O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 108-46-3
- Molecular Formula
- C6H6O2
- Molecular Mass
- 110.11 g/mol
Identifiers
CAS Registry Number
108-46-3
SMILES
Oc1cccc(O)c1
InChI Key
GHMLBKRAJCXXBS-UHFFFAOYSA-N
InChI
InChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H
Names and Synonyms
- Resorcinol Synonym
- 1,3-Benzenediol Synonym
- Resorcinol Synonym
- C.I. 76505 Synonym
- m-Benzenediol Synonym
- C.I. Developer 4 Synonym
- C.I. Oxidation Base 31 Synonym
- Developer O Synonym
- Developer R Synonym
- Developer RS Synonym
- Durafur Developer G Synonym
- Fouramine RS Synonym
- Fourrine 79 Synonym
- Fourrine EW Synonym
- Nako TGG Synonym
- Pelagol Grey RS Synonym
- Pelagol RS Synonym
- Resorcin Synonym
- 1,3-Dihydroxybenzene Synonym
- m-Hydroquinone Synonym
- m-Hydroxyphenol Synonym
- 3-Hydroxyphenol Synonym
- Reso Synonym
- m-Phenylenediol Synonym
- RS 11H Synonym
- RS 11L Synonym
- m-Dihydroxybenzene Synonym
- m-Hydroxyphenol Synonym
- Rodol RS Synonym
- NSC 1571 Synonym
- Redimix 401RAP60 Synonym
- Rezorsine Synonym
- Resorcinol 80 Synonym
- 1,3-Phenylenediol Synonym
- m-Resorcinol Synonym
- Cohedur RS Synonym
- KH 8420 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Name | Resorcinol | CAS Common Chemistry |
| Molecular Mass | 110.11 g/mol | CAS Common Chemistry |
| 110.11199999999998 g/mol | RDKit | |
| 110.112 g/mol | RDKit | |
| Density | 1.27 g/cm³ | CAS Common Chemistry |
| 1.2717 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Resorcinol | CAS Common Chemistry |
| Boiling Point | 280 °C | CAS Common Chemistry |
| Canonical SMILES | OC1=CC=CC(O)=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H | CAS Common Chemistry |
| InChI Key | InChIKey=GHMLBKRAJCXXBS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 109-111 °C | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 40.46 Ų | RDKit |
| LogP | 1.0977999999999999 | RDKit |
| 1.0978 | RDKit | |
| Molar Refractivity | 29.771599999999992 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 110.036779432 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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
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Quick conversion
MW = 110.11 g/mol; density = 1.270 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H6O2.
