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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
Names and Synonyms:
1-Naphthaleneacetic Acid
1-Naphthaleneacetic acid
α-Naphthylacetic acid
Planofix
1-Naphthylacetic acid
Planofixe
NAA
α-NAA
Fruitone N
Fruitofix
Phyomone
Celmone
Naphthaleneacetic acid
ANU
Nafusaku
1-NAA
Rhodofix
Tre-hold
2-(1-Naphthyl)acetic acid
Biokor
Agronaa
Vardhak
Alman
α-Naphthaleneacetic acid
2-(α-Naphthyl)ethanoic acid
Pomoxon
Rasin
Etifix
Rhizopon B
N 10
Naphthylacetic acid
NSC 15772
Germon
Stimolante 66f
Naftal
Naphthalen-1-ylacetic acid
2-(Naphthalen-1-yl)acetic acid
Raizon 05
N 40
1-Carboxymethylnaphthalene
Fengyousu
PoMaxa
Dirager
Identifiers:
SMILES:
O=C(O)Cc1cccc2ccccc12
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)
Key Properties
Melting Point
134.5-135.5 °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 | 186.21 g/mol | CAS Common Chemistry |
| 186.06807956 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 55.287800000000026 | RDKit |
Related Molecules
Other compounds with formula C12H10O2
