CAS No.: 31769-45-6 — 1-(4-(2-Hydroxyethoxy)phenyl)ethanone (1-[4-(2-hydroxyethoxy)phenyl]ethanone)

1. Primary Information

English name:	1-(4-(2-Hydroxyethoxy)phenyl)ethanone
CAS No.:	31769-45-6
Molecular formula:	C₁₀H₁₂O₃
Molecular weight:	180.20 g/mol
SMILES:	CC(=O)C1=CC=C(C=C1)OCCO
Structural class:
Other identifiers:	-

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	5mg	98%	400	RT	in stock	-
Kehua Intelligence	10mg	98%	720	RT	in stock	-
Kehua Intelligence	25mg	98%	1200	RT	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 25 25 0 0 0 0 0 0 0999 V2000 2.2279 -0.3216 0.2714 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0271 -0.3067 0.3756 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0650 -0.9834 -0.2112 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8725 -0.2353 0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9062 -0.0593 0.0113 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2474 1.0101 0.2459 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1083 -1.3927 0.0372 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1420 1.0982 0.1592 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2812 -1.3048 -0.0496 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9819 0.7843 -0.2229 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3282 0.2862 -0.7122 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3550 0.0333 -0.0783 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0438 1.3919 -0.0114 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4831 1.2726 -1.0692 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1205 1.5014 0.5943 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8032 1.9322 0.3882 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5900 -2.3656 -0.0106 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5882 2.0861 0.2173 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8549 -2.2207 -0.1643 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9333 1.1012 -1.1197 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2033 -0.4841 -1.4792 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7195 2.0219 -0.8437 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8427 1.8711 0.9502 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1258 1.2491 -0.0979 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1579 0.3816 1.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 10 1 0 0 0 0 2 11 1 0 0 0 0 2 25 1 0 0 0 0 3 12 2 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 5 8 2 0 0 0 0 5 9 1 0 0 0 0 5 12 1 0 0 0 0 6 8 1 0 0 0 0 6 16 1 0 0 0 0 7 9 2 0 0 0 0 7 17 1 0 0 0 0 8 18 1 0 0 0 0 9 19 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 12 13 1 0 0 0 0 13 22 1 0 0 0 0 13 23 1 0 0 0 0 13 24 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

1-[4-(2-hydroxyethoxy)phenyl]ethanone

4.2 InChI

InChI=1S/C10H12O3/c1-8(12)9-2-4-10(5-3-9)13-7-6-11/h2-5,11H,6-7H2,1H3

4.3 InChIKey

GAGUQISURGFYNC-UHFFFAOYSA-N

4.4 Canonical SMILES

CC(=O)C1=CC=C(C=C1)OCCO

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)