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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
Names and Synonyms:
3-Hydroxy-2-Naphthalenecarboxamide
2-Naphthalenecarboxamide, 3-hydroxy-
2-Naphthamide, 3-hydroxy-
3-Hydroxy-2-naphthalenecarboxamide
3-Hydroxy-2-naphthamide
2-Hydroxy-3-naphthalenecarboxamide
2-Hydroxy-3-naphthoamide
2-Hydroxy-3-naphthamide
2-Hydroxy-3-naphthoic acid amide
NSC 37060
3-Hydroxy-2-naphthalenecarbamide
3-Hydroxy-2-naphthoamide
Identifiers:
SMILES:
N=C(O)c1cc2ccccc2cc1O
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)
Key Properties
Melting Point
185 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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3
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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40
20
0 ppm
| 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 | 187.20 g/mol | CAS Common Chemistry |
| 187.19799999999998 g/mol | RDKit | |
| 187.063328528 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 |
| Molar Refractivity | 55.070300000000024 | RDKit |
