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Molecule
3-Hydroxy-2-Naphthalenecarboxamide
CAS: 3665-51-8 · C11H9NO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 3665-51-8
- Molecular Formula
- C11H9NO2
- Molecular Mass
- 187.20 g/mol
Identifiers
CAS Registry Number
3665-51-8
SMILES
N=C(O)c1cc2ccccc2cc1O
InChI Key
NFTNTGFZYSCPSK-UHFFFAOYSA-N
InChI
InChI=1S/C11H9NO2/c12-11(14)9-5-7-3-1-2-4-8(7)6-10(9)13/h1-6,13H,(H2,12,14)
Names and Synonyms
- 3-Hydroxy-2-Naphthalenecarboxamide Systematic Name
- 2-Naphthalenecarboxamide, 3-hydroxy- Synonym
- 2-Naphthamide, 3-hydroxy- Synonym
- 3-Hydroxy-2-naphthalenecarboxamide Synonym
- 3-Hydroxy-2-naphthamide Synonym
- 2-Hydroxy-3-naphthalenecarboxamide Synonym
- 2-Hydroxy-3-naphthoamide Synonym
- 2-Hydroxy-3-naphthamide Synonym
- 2-Hydroxy-3-naphthoic acid amide Synonym
- NSC 37060 Synonym
- 3-Hydroxy-2-naphthalenecarbamide Synonym
- 3-Hydroxy-2-naphthoamide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 187.20 g/mol | CAS Common Chemistry |
| 187.19799999999998 g/mol | RDKit | |
| 187.198 g/mol | RDKit | |
| Canonical SMILES | O=C(N)C1=CC=2C=CC=CC2C=C1O | CAS Common Chemistry |
| InChI | InChI=1S/C11H9NO2/c12-11(14)9-5-7-3-1-2-4-8(7)6-10(9)13/h1-6,13H,(H2,12,14) | CAS Common Chemistry |
| InChI Key | InChIKey=NFTNTGFZYSCPSK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 185 °C | CAS Common Chemistry |
| Name | 3-Hydroxy-2-naphthalenecarboxamide | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 64.31 Ų | RDKit |
| LogP | 2.4287700000000014 | RDKit |
| 2.4288 | RDKit | |
| Molar Refractivity | 55.070300000000024 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 187.063328528 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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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 = 187.20 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C11H9NO2.
