CAS No.: 86-87-3 — 1-Naphthaleneacetic acid (1-萘乙酸)

1. Primary Information

English name:	1-Naphthaleneacetic acid
CAS No.:	86-87-3
Molecular formula:	C₁₂H₁₀O₂
Molecular weight:	186.21 g/mol
SMILES:	C1=CC=C2C(=C1)C=CC=C2CC(=O)O
Structural class:
Other identifiers:	1-naphthaleneacetic acid 1-naphthaleneacetic acid, ammonium salt 1-naphthaleneacetic acid, potassium salt 1-naphthaleneacetic acid, sodium salt 1-naphthylacetic acid

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Purchase	Storage conditions	Lead time	Notes
Kehua Intelligence	20mg	HPLC≥99%	80	Buy now	2-8℃	in stock	-
Kehua Intelligence	10ml	1mg/ml	96	Buy now	2-8℃,避光,6个月	in stock	-
Kehua Intelligence	5g	BR，98%	16	Buy now	2-8℃	in stock	-
Kehua Intelligence	25g	BR，98%	24	Buy now	2-8℃	in stock	-
Kehua Intelligence	100g	BR，98%	44	Buy now	2-8℃	in stock	-
Kehua Intelligence	500g	BR，98%	180	Buy now	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 24 25 0 0 0 0 0 0 0999 V2000 3.9690 1.0122 -0.1345 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4971 0.3303 1.4538 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5273 0.1505 -0.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6433 -0.5915 -0.4889 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7104 -0.5238 0.1233 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9287 0.0591 -0.8988 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6474 -1.9784 -0.3382 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5497 1.5470 -0.4092 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6880 -1.9203 0.2704 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8811 0.2181 0.3499 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5160 -2.6416 0.0407 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7218 2.2683 -0.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8852 1.6051 0.1988 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7941 0.4651 0.2747 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7704 0.9187 -1.5562 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5139 -0.6543 -1.4953 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5515 -2.5571 -0.5094 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3285 2.1221 -0.6856 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5856 -2.4596 0.5659 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8021 -0.2793 0.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5121 -3.7213 0.1588 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7254 3.3485 -0.2934 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7970 2.1673 0.3781 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5321 1.2772 0.6238 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 24 1 0 0 0 0 2 14 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 8 2 0 0 0 0 4 6 1 0 0 0 0 4 7 2 0 0 0 0 5 9 1 0 0 0 0 5 10 2 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 7 11 1 0 0 0 0 7 17 1 0 0 0 0 8 12 1 0 0 0 0 8 18 1 0 0 0 0 9 11 2 0 0 0 0 9 19 1 0 0 0 0 10 13 1 0 0 0 0 10 20 1 0 0 0 0 11 21 1 0 0 0 0 12 13 2 0 0 0 0 12 22 1 0 0 0 0 13 23 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

2-naphthalen-1-ylacetic acid

4.2 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)

4.3 InChIKey

PRPINYUDVPFIRX-UHFFFAOYSA-N

4.4 Canonical SMILES

C1=CC=C2C(=C1)C=CC=C2CC(=O)O

4.5 Isomeric SMILES

4.6 SDF file

Coming soon

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

Coming soon

5.4 Infrared spectroscopy (IR)

Coming soon

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

Coming soon

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)