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Molecule
1-Naphthaleneacetic Acid
CAS: 86-87-3 · C12H10O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 86-87-3
- Molecular Formula
- C12H10O2
- Molecular Mass
- 186.21 g/mol
Identifiers
CAS Registry Number
86-87-3
SMILES
O=C(O)Cc1cccc2ccccc12
InChI Key
PRPINYUDVPFIRX-UHFFFAOYSA-N
InChI
InChI=1S/C12H10O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,13,14)
Names and Synonyms
- 1-Naphthaleneacetic Acid Systematic Name
- Fengyousu Synonym
- PoMaxa Synonym
- 1-Naphthaleneacetic acid Synonym
- α-Naphthylacetic acid Synonym
- Planofix Synonym
- 1-Naphthylacetic acid Synonym
- Planofixe Synonym
- NAA Synonym
- α-NAA Synonym
- Fruitone N Synonym
- Fruitofix Synonym
- Phyomone Synonym
- Celmone Synonym
- Naphthaleneacetic acid Synonym
- ANU Synonym
- Nafusaku Synonym
- 1-NAA Synonym
- Rhodofix Synonym
- Tre-hold Synonym
- 2-(1-Naphthyl)acetic acid Synonym
- Biokor Synonym
- Agronaa Synonym
- Vardhak Synonym
- Alman Synonym
- α-Naphthaleneacetic acid Synonym
- 2-(α-Naphthyl)ethanoic acid Synonym
- Pomoxon Synonym
- Rasin Synonym
- Etifix Synonym
- Rhizopon B Synonym
- N 10 Synonym
- Naphthylacetic acid Synonym
- NSC 15772 Synonym
- Germon Synonym
- Stimolante 66f Synonym
- Naftal Synonym
- Naphthalen-1-ylacetic acid Synonym
- 2-(Naphthalen-1-yl)acetic acid Synonym
- Raizon 05 Synonym
- N 40 Synonym
- 1-Carboxymethylnaphthalene Synonym
- Dirager Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 186.21 g/mol | CAS Common Chemistry |
| Wikipedia Url | https://en.wikipedia.org/wiki/1-Naphthaleneacetic_acid | CAS Common Chemistry |
| Canonical SMILES | O=C(O)CC1=CC=CC=2C=CC=CC21 | CAS Common Chemistry |
| InChI | InChI=1S/C12H10O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,13,14) | CAS Common Chemistry |
| InChI Key | InChIKey=PRPINYUDVPFIRX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 134.5-135.5 °C | CAS Common Chemistry |
| Name | 1-Naphthaleneacetic acid | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | 2.4669000000000008 | RDKit |
| 2.4669 | RDKit | |
| Molar Refractivity | 55.287800000000026 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0833 | RDKit |
| 0.08 | chempirical lib | |
| Exact Mass | 186.06807956 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
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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 = 186.21 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C12H10O2.
