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Molecule
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
Identifiers
CAS Registry Number
120-23-0
SMILES
O=C(O)COc1ccc2ccccc2c1
InChI Key
RZCJYMOBWVJQGV-UHFFFAOYSA-N
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)
Names and Synonyms
- 2-Naphthoxyacetic Acid Systematic Name
- Acetic acid, 2-(2-naphthalenyloxy)- Synonym
- Acetic acid, (2-naphthyloxy)- Synonym
- Acetic acid, (2-naphthalenyloxy)- Synonym
- Acetic acid, 2-naphthoxy- Synonym
- 2-(2-Naphthalenyloxy)acetic acid Synonym
- Betoxon Synonym
- β-Naphthoxyacetic acid Synonym
- O-(2-Naphthyl)glycolic acid Synonym
- 2-Naphthoxyacetic acid Synonym
- NOXA Synonym
- 2-NOXA Synonym
- (2-Naphthyloxy)acetic acid Synonym
- (β-Naphthyloxy)acetic acid Synonym
- (β-Naphthalenyloxy)acetic acid Synonym
- Gerlach 1396 Synonym
- (2-Naphthalenyloxy)acetic acid Synonym
- Betapal Synonym
- NOA Synonym
- Betokson Synonym
- No Seed Synonym
- Betokson Super Synonym
- NSC 2070 Synonym
- F 31 Synonym
- NOXA (naphthyloxyacetic acid) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 202.21 g/mol | CAS Common Chemistry |
| 202.209 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 |
| 2.3032 | RDKit | |
| Molar Refractivity | 57.07880000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0833 | RDKit |
| 0.08 | chempirical lib | |
| Exact Mass | 202.06299417999998 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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.
External Resources
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MW = 202.21 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C12H10O3.
