Back to Search
Naphthoxyacetic Acid
CAS: 2976-75-2 | C12H10O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2976-75-2
Molecular Formula:
C12H10O3
Molecular Mass:
202.21 g/mol
Names and Synonyms:
Naphthoxyacetic Acid
Acetic acid, 2-(1-naphthalenyloxy)-
Acetic acid, (1-naphthyloxy)-
Acetic acid, (1-naphthalenyloxy)-
Acetic acid, 1-naphthoxy-
2-(1-Naphthalenyloxy)acetic acid
α-Naphthoxyacetic acid
1-Naphthoxyacetic acid
α-Naphthyloxyacetic acid
1-Naphthyloxyacetic acid
1-Naphthalenyloxyacetic acid
2-(1-Naphthyloxy)acetic acid
2-(1-Naphthoxy)acetic acid
Naphthalene 1-carboxymethyl ether
NSC 9847
2-[(Naphthalen-1-yl)oxy]acetic acid
Naphthoxyacetic acid
Identifiers:
SMILES:
O=C(O)COc1cccc2ccccc12
InChI:
InChI=1S/C12H10O3/c13-12(14)8-15-11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,8H2,(H,13,14)
Key Properties
Melting Point
195-197 °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)COC1=CC=CC=2C=CC=CC12 | CAS Common Chemistry |
| InChI | InChI=1S/C12H10O3/c13-12(14)8-15-11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,8H2,(H,13,14) | CAS Common Chemistry |
| InChI Key | InChIKey=GHRYSOFWKRRLMI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 195-197 °C | CAS Common Chemistry |
| Name | 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 | 57.07880000000002 | RDKit |
