CAS No.: 581-96-4 — 2-Naphthylacetic acid (β-萘乙酸)

1. Primary Information

English name:	2-Naphthylacetic acid
CAS No.:	581-96-4
Molecular formula:	C₁₂H₁₀O₂
Molecular weight:	186.21 g/mol
SMILES:	C1=CC=C2C=C(C=CC2=C1)CC(=O)O
Structural class:
Other identifiers:	2-naphthylacetic acid 2-naphthylacetic acid, 14C-labeled 2-naphthylacetic acid, sodium salt beta-naphthaleneacetate beta-naphthaleneacetic acid

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	20mg	HPLC≥98%	80	RT	in stock	-
Kehua Intelligence	5g	BR，98%	32	RT	in stock	-
Kehua Intelligence	25g	BR，98%	120	RT	in stock	-
Kehua Intelligence	100g	BR，98%	400	RT	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 -4.6834 -0.5821 0.0131 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9997 -0.2957 -1.4826 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1491 -0.5432 0.2321 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1175 0.2763 0.5646 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5770 0.7757 -0.0511 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2017 -0.7760 0.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6967 1.5733 0.2857 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6415 1.8229 -0.0203 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5487 0.0111 0.8908 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0846 -1.5902 0.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9276 1.0088 -0.3572 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4227 -1.3404 -0.1048 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8435 -0.0433 -0.3833 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3984 -0.2974 -0.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5406 -1.7877 0.7551 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4008 2.4011 0.3008 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9482 2.8445 -0.2355 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9832 0.8807 1.3985 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6206 -0.8370 1.5824 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7782 -2.6119 0.4153 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2787 2.0146 -0.5782 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1361 -2.1591 -0.1254 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8854 0.1504 -0.6213 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2333 -0.7813 -0.7745 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 5 1 0 0 0 0 3 6 1 0 0 0 0 3 10 2 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 4 9 1 0 0 0 0 5 8 1 0 0 0 0 5 11 2 0 0 0 0 6 15 1 0 0 0 0 7 8 2 0 0 0 0 7 16 1 0 0 0 0 8 17 1 0 0 0 0 9 14 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 10 12 1 0 0 0 0 10 20 1 0 0 0 0 11 13 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-2-ylacetic acid

4.2 InChI

InChI=1S/C12H10O2/c13-12(14)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7H,8H2,(H,13,14)

4.3 InChIKey

VIBOGIYPPWLDTI-UHFFFAOYSA-N

4.4 Canonical SMILES

C1=CC=C2C=C(C=CC2=C1)CC(=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)