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9-Anthracenemethanol
CAS: 1468-95-7 | C15H12O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1468-95-7
Molecular Formula:
C15H12O
Molecular Mass:
208.26 g/mol
Names and Synonyms:
9-Anthracenemethanol
9-Anthracenemethanol
9-Anthrylcarbinol
9-Methylolanthracene
9-(Hydroxymethyl)anthracene
Anthracene-9-carbinol
9-Anthrylmethanol
9-Anthracenylmethanol
NSC 241166
9-Anthracenylmethyl alcohol
Identifiers:
SMILES:
OCc1c2ccccc2cc2ccccc12
InChI:
InChI=1S/C15H12O/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-9,16H,10H2
Key Properties
Melting Point
158 °C @ Solvent: Ethanol
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
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20
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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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 208.26 g/mol | CAS Common Chemistry |
| 208.088815004 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/9-Anthracenemethanol | CAS Common Chemistry |
| Canonical SMILES | OCC=1C=2C=CC=CC2C=C3C=CC=CC31 | CAS Common Chemistry |
| InChI | InChI=1S/C15H12O/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-9,16H,10H2 | CAS Common Chemistry |
| InChI Key | InChIKey=JCJNNHDZTLRSGN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 158 °C @ Solvent: Ethanol | CAS Common Chemistry |
| Name | 9-Anthracenemethanol | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 3.4853000000000014 | RDKit |
| Molar Refractivity | 67.37680000000003 | RDKit |
