CAS No.: 19367-38-5 — Methyl 4-hydroxycinnamate (对香豆酸甲酯)

1. Primary Information

English name:	Methyl 4-hydroxycinnamate
CAS No.:	19367-38-5
Molecular formula:	C₁₀H₁₀O₃
Molecular weight:	178.18 g/mol
SMILES:	COC(=O)C=CC1=CC=C(C=C1)O
Structural class:
Other identifiers:	4-coumaric acid methyl ester 4-coumaric acid methyl ester, (E)-isomer para-coumaric acid methyl ester

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Purchase	Storage conditions	Lead time	Notes
Kehua Intelligence	5mg	HPLC≥98%	256	Buy now	2-8℃	in stock	-
Kehua Intelligence	1g	≥98%	24	Buy now	2-8℃	in stock	-
Kehua Intelligence	5g	≥98%	72	Buy now	2-8℃	in stock	-
Kehua Intelligence	25g	≥98%	240	Buy now	2-8℃	in stock	-
Kehua Intelligence	100g	≥98%	720	Buy now	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 23 23 0 0 0 0 0 0 0999 V2000 4.8468 0.5292 -0.0996 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8193 0.9153 -0.2056 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4210 -1.3121 0.2610 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7907 -0.3333 0.0749 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2315 0.9810 0.2291 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7130 -1.3580 -0.1377 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5947 1.2707 0.1704 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0762 -1.0681 -0.1962 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6307 -0.6357 0.1353 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5170 0.2462 -0.0422 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6272 0.2586 -0.0478 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0407 -0.1757 0.0281 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2312 0.6820 -0.1697 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5524 1.8076 0.4163 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3884 -2.3883 -0.2615 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8790 -1.6762 0.3343 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9262 2.2980 0.2962 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7900 -1.8703 -0.3625 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4457 1.3032 -0.2747 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9713 1.4855 0.0265 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5155 -0.0394 -0.9417 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7376 1.6297 -0.3712 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5312 0.3269 0.8209 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 20 1 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 3 12 2 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 5 7 1 0 0 0 0 5 14 1 0 0 0 0 6 8 2 0 0 0 0 6 15 1 0 0 0 0 7 10 2 0 0 0 0 7 17 1 0 0 0 0 8 10 1 0 0 0 0 8 18 1 0 0 0 0 9 11 2 0 0 0 0 9 16 1 0 0 0 0 11 12 1 0 0 0 0 11 19 1 0 0 0 0 13 21 1 0 0 0 0 13 22 1 0 0 0 0 13 23 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate

4.2 InChI

InChI=1S/C10H10O3/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-7,11H,1H3/b7-4+

4.3 InChIKey

NITWSHWHQAQBAW-QPJJXVBHSA-N

4.4 Canonical SMILES

COC(=O)C=CC1=CC=C(C=C1)O

4.5 Isomeric SMILES

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