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Molecule
2-Hydroxy-5-Methoxybenzaldehyde
CAS: 672-13-9 · C8H8O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 672-13-9
- Molecular Formula
- C8H8O3
- Molecular Mass
- 152.15 g/mol
Identifiers
CAS Registry Number
672-13-9
SMILES
COc1ccc(O)c(C=O)c1
InChI Key
FZHSPPYCNDYIKD-UHFFFAOYSA-N
InChI
InChI=1S/C8H8O3/c1-11-7-2-3-8(10)6(4-7)5-9/h2-5,10H,1H3
Names and Synonyms
- 2-Hydroxy-5-Methoxybenzaldehyde Synonym
- Benzaldehyde, 2-hydroxy-5-methoxy- Synonym
- m-Anisaldehyde, 6-hydroxy- Synonym
- 2-Hydroxy-5-methoxybenzaldehyde Synonym
- 5-Methoxysalicylaldehyde Synonym
- 2-Formyl-4-methoxyphenol Synonym
- 5-Methoxy-2-hydroxybenzaldehyde Synonym
- 4-Hydroxy-3-formylanisole Synonym
- NSC 30116 Synonym
- 3-Methoxy-6-hydroxybenzaldehyde Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 152.15 g/mol | CAS Common Chemistry |
| 152.14899999999997 g/mol | RDKit | |
| 152.149 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/2-Hydroxy-5-methoxybenzaldehyde | CAS Common Chemistry |
| Boiling Point | 247.5 °C | CAS Common Chemistry |
| Canonical SMILES | O=CC1=CC(OC)=CC=C1O | CAS Common Chemistry |
| InChI | InChI=1S/C8H8O3/c1-11-7-2-3-8(10)6(4-7)5-9/h2-5,10H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=FZHSPPYCNDYIKD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 4 °C | CAS Common Chemistry |
| Name | 2-Hydroxy-5-methoxybenzaldehyde | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 46.53 Ų | RDKit |
| LogP | 1.2133 | RDKit |
| Molar Refractivity | 40.046300000000016 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.125 | RDKit |
| 0.12 | chempirical lib | |
| Exact Mass | 152.047344116 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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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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MW = 152.15 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H8O3.
