CAS No.: 1135-24-6 — Ferulic acid (阿魏酸)

1. Primary Information

English name:	Ferulic acid
CAS No.:	1135-24-6
Molecular formula:	C₁₀H₁₀O₄
Molecular weight:	194.18 g/mol
SMILES:	COC1=C(C=CC(=C1)C=CC(=O)O)O
Structural class:
Other identifiers:	3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid 4-hydroxy-3-methoxycinnamic acid 8,8'-diferulic acid cis-ferulic acid ferulic acid

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Purchase	Storage conditions	Lead time	Notes
Kehua Intelligence	20mg	HPLC≥98%	60	Buy now	2-8℃	in stock	-
Kehua Intelligence	100mg	HPLC≥98%	224	Buy now	2-8℃	in stock	-
Kehua Intelligence	5g	99%	228	Buy now	2-8℃	in stock	-
Kehua Intelligence	25g	99%	880	Buy now	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 24 24 0 0 0 0 0 0 0999 V2000 -2.5939 1.6627 -0.5178 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9859 -0.6823 0.0196 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4363 1.4715 0.1900 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5027 -0.7869 -0.1265 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1654 -0.6897 -0.0534 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9252 0.5008 -0.2754 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5305 0.4940 -0.2994 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5334 -1.8663 0.2168 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6238 -0.6759 -0.0052 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9280 -1.8595 0.2409 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6195 -0.6971 -0.0775 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4088 0.3919 0.0561 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8900 2.4872 0.6076 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8781 0.2496 0.0242 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0226 1.4256 -0.5336 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0082 -2.7982 0.4126 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4599 -2.7831 0.4528 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0797 -1.6750 -0.2037 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0150 1.3900 0.2107 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9668 2.8147 1.0961 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5238 1.9520 1.3218 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4302 3.3694 0.2535 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2948 -1.5819 0.2229 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4164 1.4326 0.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 13 1 0 0 0 0 2 9 1 0 0 0 0 2 23 1 0 0 0 0 3 14 1 0 0 0 0 3 24 1 0 0 0 0 4 14 2 0 0 0 0 5 7 2 0 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 9 2 0 0 0 0 7 15 1 0 0 0 0 8 10 2 0 0 0 0 8 16 1 0 0 0 0 9 10 1 0 0 0 0 10 17 1 0 0 0 0 11 12 2 0 0 0 0 11 18 1 0 0 0 0 12 14 1 0 0 0 0 12 19 1 0 0 0 0 13 20 1 0 0 0 0 13 21 1 0 0 0 0 13 22 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid

4.2 InChI

InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+

4.3 InChIKey

KSEBMYQBYZTDHS-HWKANZROSA-N

4.4 Canonical SMILES

COC1=C(C=CC(=C1)C=CC(=O)O)O

4.5 Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)O)O

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)