CAS No.: 55-10-7 — Vanillylmandelic acid (DL-4-羟基-3-甲氧基扁桃酸)

1. Primary Information

English name:	Vanillylmandelic acid
CAS No.:	55-10-7
Molecular formula:	C₉H₁₀O₅
Molecular weight:	198.17 g/mol
SMILES:	COC1=C(C=CC(=C1)C(C(=O)O)O)O
Structural class:
Other identifiers:	4 Hydroxy 3 Methoxymandelic Acid 4-Hydroxy-3-Methoxymandelic Acid Acid, 4-Hydroxy-3-Methoxymandelic Acid, Methoxyhydroxymandelic Acid, Vanillylmandelic

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	100mg	HPLC≥98%	320	2-8℃	in stock	-
Kehua Intelligence	250mg	BR，98%	88	2-8℃	in stock	-
Kehua Intelligence	1g	BR，98%	224	2-8℃	in stock	-
Kehua Intelligence	5g	BR，98%	720	2-8℃	in stock	-
Kehua Intelligence	25g	BR，98%	3360	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 24 24 0 1 0 0 0 0 0999 V2000 -2.2865 1.5554 0.6221 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3875 -0.4167 1.7513 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5419 -0.7542 -0.2814 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5504 0.2199 -1.8048 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.3427 -0.0307 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5802 -0.6747 0.2093 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0611 -0.6507 0.3836 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1749 0.4616 0.4993 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0498 -1.8337 -0.2441 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5600 0.4392 0.3358 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1900 -0.7198 -0.1176 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4350 -1.8562 -0.4073 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7529 0.4051 -0.4741 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4971 2.4822 -0.4413 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5045 -1.6182 0.1185 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3079 1.3685 0.8558 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5248 -2.7269 -0.4745 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9130 -2.7657 -0.7613 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3468 -0.5447 1.8488 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0407 2.0077 -1.2644 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5414 2.8773 -0.8002 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0971 3.3123 -0.0585 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7997 -1.6355 -0.6022 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9889 0.9145 -2.3412 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 14 1 0 0 0 0 2 7 1 0 0 0 0 2 19 1 0 0 0 0 3 11 1 0 0 0 0 3 23 1 0 0 0 0 4 13 1 0 0 0 0 4 24 1 0 0 0 0 5 13 2 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 7 13 1 0 0 0 0 7 15 1 0 0 0 0 8 10 1 0 0 0 0 8 16 1 0 0 0 0 9 12 2 0 0 0 0 9 17 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 18 1 0 0 0 0 14 20 1 0 0 0 0 14 21 1 0 0 0 0 14 22 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid

4.2 InChI

InChI=1S/C9H10O5/c1-14-7-4-5(2-3-6(7)10)8(11)9(12)13/h2-4,8,10-11H,1H3,(H,12,13)

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)