CAS No.: 69-72-7 — Salicylic Acid (水杨酸)

1. Primary Information

English name:	Salicylic Acid
CAS No.:	69-72-7
Molecular formula:	C₇H₆O₃
Molecular weight:	138.12 g/mol
SMILES:	C1=CC=C(C(=C1)C(=O)O)O
Structural class:
Other identifiers:	2 Hydroxybenzoic Acid 2-Hydroxybenzoic Acid Acid, 2-Hydroxybenzoic Acid, o-Hydroxybenzoic Acid, ortho-Hydroxybenzoic

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Purchase	Storage conditions	Lead time	Notes
Kehua Intelligence	20mg	HPLC≥98%	50	Buy now	2-8℃	in stock	-
Kehua Intelligence	200mg	HPLC≥98%	480	Buy now	2-8℃	in stock	-
Kehua Intelligence	250g	AR，99%	32	Buy now	2-8℃	in stock	-
Kehua Intelligence	1kg	AR，99%	84	Buy now	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

2-hydroxybenzoic acid

4.2 InChI

InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)

4.3 InChIKey

YGSDEFSMJLZEOE-UHFFFAOYSA-N

4.4 Canonical SMILES

C1=CC=C(C(=C1)C(=O)O)O

4.5 Isomeric SMILES

4.6 SDF file

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 10 10 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 0.866025 0.5 0 0
M  V30 2 C 1.73205 -1.97215e-31 0 0
M  V30 3 C 1.73205 -1 0 0
M  V30 4 C 0.866025 -1.5 0 0
M  V30 5 C 2.81541e-16 -1 0 0
M  V30 6 C 0 -0 0 0
M  V30 7 C -0.866025 -1.5 0 0
M  V30 8 O -1.73205 -1 0 0
M  V30 9 O -0.866025 -2.5 0 0
M  V30 10 O 0.866025 -2.5 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 6
M  V30 2 2 1 2
M  V30 3 1 2 3
M  V30 4 2 3 4
M  V30 5 1 4 5
M  V30 6 1 4 10
M  V30 7 2 5 6
M  V30 8 1 5 7
M  V30 9 2 7 8
M  V30 10 1 7 9
M  V30 END BOND
M  V30 END CTAB
M  END

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)

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)