CAS No.: 940-31-8 — 2-Phenoxypropionic acid (2-苯氧基丙酸)

1. Primary Information

English name:	2-Phenoxypropionic acid
CAS No.:	940-31-8
Molecular formula:	C₉H₁₀O₃
Molecular weight:	166.17 g/mol
SMILES:	CC(C(=O)O)OC1=CC=CC=C1
Structural class:
Other identifiers:	2-phenoxypropanoic acid

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	500mg	GC≥98%	243	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 22 22 0 1 0 0 0 0 0999 V2000 0.4775 -0.6047 -0.6551 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4790 0.6890 0.8543 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5310 1.0479 -1.1766 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4708 -0.5037 0.3642 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7911 -0.2418 -0.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0623 -1.8854 0.5818 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0538 1.0572 0.1132 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8286 -1.1695 -0.4146 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5274 0.4806 -0.0918 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3540 1.4283 0.4558 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1288 -0.7984 -0.0722 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3917 0.5006 0.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0473 -0.1346 1.3073 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5237 -2.2627 -0.3381 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2805 -2.5995 0.8621 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8259 -1.8791 1.3658 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2580 1.7938 0.1817 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6296 -2.1830 -0.7521 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5592 2.4402 0.7927 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9365 -1.5208 -0.1443 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4041 0.7897 0.6292 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1555 1.3340 0.5565 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 9 1 0 0 0 0 2 22 1 0 0 0 0 3 9 2 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 4 13 1 0 0 0 0 5 7 2 0 0 0 0 5 8 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 7 10 1 0 0 0 0 7 17 1 0 0 0 0 8 11 2 0 0 0 0 8 18 1 0 0 0 0 10 12 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 12 21 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

2-phenoxypropanoic acid

4.2 InChI

InChI=1S/C9H10O3/c1-7(9(10)11)12-8-5-3-2-4-6-8/h2-7H,1H3,(H,10,11)

4.3 InChIKey

SXERGJJQSKIUIC-UHFFFAOYSA-N

4.4 Canonical SMILES

CC(C(=O)O)OC1=CC=CC=C1

4.5 Isomeric SMILES

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)