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2-Naphthalenecarboxylic Acid, 3-Hydroxy-, Methyl Ester
CAS: 883-99-8 | C12H10O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
883-99-8
Molecular Formula:
C12H10O3
Molecular Mass:
202.21 g/mol
Names and Synonyms:
2-Naphthalenecarboxylic Acid, 3-Hydroxy-, Methyl Ester
2-Naphthalenecarboxylic acid, 3-hydroxy-, methyl ester
2-Naphthoic acid, 3-hydroxy-, methyl ester
Methyl 3-hydroxy-2-naphthoate
2-Hydroxy-3-naphthoic acid methyl ester
Methyl 3-hydroxy-2-naphthalenecarboxylate
Methyl 2-hydroxy-3-naphthoate
2-Hydroxynaphthalene-3-carboxylic acid methyl ester
3-(Methoxycarbonyl)-2-naphthol
3-Carbomethoxy-2-naphthol
Methyl 2-hydroxynaphthalene-3-carboxylate
NSC 25175
Methyl 2-hydroxy-3-naphthoic acid
3-Hydroxy-2-naphthoic acid methyl ester
3-Hydroxy-2-naphthalenecarboxylic acid methyl ester
Identifiers:
SMILES:
COC(=O)c1cc2ccccc2cc1O
InChI:
InChI=1S/C12H10O3/c1-15-12(14)10-6-8-4-2-3-5-9(8)7-11(10)13/h2-7,13H,1H3
Key Properties
Boiling Point
206 °C
CAS Common Chemistry
Melting Point
75.5 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 202.21 g/mol | CAS Common Chemistry |
| 202.209 g/mol | RDKit | |
| 202.06299418 g/mol | RDKit | |
| Boiling Point | 206 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(OC)C1=CC=2C=CC=CC2C=C1O | CAS Common Chemistry |
| InChI | InChI=1S/C12H10O3/c1-15-12(14)10-6-8-4-2-3-5-9(8)7-11(10)13/h2-7,13H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=YVVBECLPRBAATK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 75.5 °C | CAS Common Chemistry |
| Name | 2-Naphthalenecarboxylic acid, 3-hydroxy-, methyl ester | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 46.53 Ų | RDKit |
| LogP | 2.332000000000001 | RDKit |
| Molar Refractivity | 56.95230000000002 | RDKit |
