CAS No.: 3901-07-3 — Methyl 4-methoxycinnamate ((E)-4-甲氧基肉桂酸甲酯)

1. Primary Information

English name:	Methyl 4-methoxycinnamate
CAS No.:	3901-07-3
Molecular formula:	C₁₁H₁₂O₃
Molecular weight:	192.21 g/mol
SMILES:	COC1=CC=C(C=C1)C=CC(=O)OC
Structural class:
Other identifiers:	4-methoxycinnamate methyl ester 4-methoxycinnamate methyl ester, (E)-isomer 4-methoxycinnamate methyl ester, (Z)-isomer 4-methoxymethyl cinnamate

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1g	95%	156	RT	in stock	-
Kehua Intelligence	5g	95%	544	RT	in stock	-
Kehua Intelligence	100g	95%	6176	RT	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 26 26 0 0 0 0 0 0 0999 V2000 4.4249 0.6619 -0.0369 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2457 0.8635 -0.2422 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8061 -1.3481 0.2605 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3860 -0.2834 0.1061 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7974 1.0420 0.2462 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3319 -1.2912 -0.0819 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1007 0.3518 0.0102 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1548 1.3596 0.1981 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6893 -0.9735 -0.1298 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0293 -0.6149 0.1554 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0423 0.2556 -0.0513 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4471 -0.2073 0.0155 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3383 -0.4169 -0.2317 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6528 0.6011 -0.2183 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0992 1.8567 0.4142 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0290 -2.3297 -0.1944 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4703 2.3931 0.3119 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3701 -1.8047 -0.2787 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2579 -1.6574 0.3665 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8802 1.3005 -0.2911 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1861 -0.9028 -1.2014 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3029 -1.1291 0.5997 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3461 0.0109 -0.2432 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9133 -0.1371 -0.9828 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1766 1.5349 -0.4388 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9563 0.2538 0.7739 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 13 1 0 0 0 0 2 12 1 0 0 0 0 2 14 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 10 1 0 0 0 0 5 8 1 0 0 0 0 5 15 1 0 0 0 0 6 9 2 0 0 0 0 6 16 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 8 17 1 0 0 0 0 9 18 1 0 0 0 0 10 11 2 0 0 0 0 10 19 1 0 0 0 0 11 12 1 0 0 0 0 11 20 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 14 24 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

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

4.2 InChI

InChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3/b8-5+

4.3 InChIKey

VEZIKIAGFYZTCI-VMPITWQZSA-N

4.4 Canonical SMILES

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

4.5 Isomeric SMILES

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

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)