Back to Search
2-Naphthoxyacetic Acid
CAS: 120-23-0 | C12H10O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
120-23-0
Molecular Formula:
C12H10O3
Molecular Mass:
202.21 g/mol
Names and Synonyms:
2-Naphthoxyacetic Acid
Acetic acid, 2-(2-naphthalenyloxy)-
Acetic acid, (2-naphthyloxy)-
Acetic acid, (2-naphthalenyloxy)-
Acetic acid, 2-naphthoxy-
2-(2-Naphthalenyloxy)acetic acid
Betoxon
β-Naphthoxyacetic acid
O-(2-Naphthyl)glycolic acid
2-Naphthoxyacetic acid
NOXA
2-NOXA
(2-Naphthyloxy)acetic acid
(β-Naphthyloxy)acetic acid
(β-Naphthalenyloxy)acetic acid
Gerlach 1396
(2-Naphthalenyloxy)acetic acid
Betapal
NOA
Betokson
No Seed
Betokson Super
NSC 2070
F 31
NOXA (naphthyloxyacetic acid)
Identifiers:
SMILES:
O=C(O)COc1ccc2ccccc2c1
InChI:
InChI=1S/C12H10O3/c13-12(14)8-15-11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2,(H,13,14)
Key Properties
Melting Point
156 °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 | |
| 202.06299417999998 g/mol | RDKit | |
| Canonical SMILES | O=C(O)COC=1C=CC=2C=CC=CC2C1 | CAS Common Chemistry |
| InChI | InChI=1S/C12H10O3/c13-12(14)8-15-11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2,(H,13,14) | CAS Common Chemistry |
| InChI Key | InChIKey=RZCJYMOBWVJQGV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 156 °C | CAS Common Chemistry |
| Name | 2-Naphthoxyacetic acid | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 46.53 Ų | RDKit |
| LogP | 2.3032000000000004 | RDKit |
| Molar Refractivity | 57.07880000000003 | RDKit |
