CAS No.: 28315-93-7 — 5-Hydroxy-1-tetralone (5-羟基-1-四氢萘酮)

1. Primary Information

English name:	5-Hydroxy-1-tetralone
CAS No.:	28315-93-7
Molecular formula:	C₁₀H₁₀O₂
Molecular weight:	162.18 g/mol
SMILES:	C1CC2=C(C=CC=C2O)C(=O)C1
Structural class:
Other identifiers:	1,2,3,4-tetrahydro-1-oxo-5-hydroxynaphthalene 5-hydroxy-1-tetralone

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	20mg	99%	240	RT	in stock	-
Kehua Intelligence	1g	99%	40	RT	in stock	-
Kehua Intelligence	5g	99%	128	RT	in stock	-
Kehua Intelligence	25g	99%	560	RT	in stock	-
Kehua Intelligence	100g	99%	1680	RT	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 22 23 0 0 0 0 0 0 0999 V2000 2.4239 -1.7104 0.0685 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4856 1.7330 0.1002 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3598 1.9049 0.1566 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7532 1.8127 -0.4513 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3656 0.5908 0.0501 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5395 0.6764 0.1813 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3281 -0.6288 0.0107 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8129 -0.6455 0.0651 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7674 0.5748 0.0339 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3710 -1.8392 -0.0697 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4627 -0.6322 -0.0455 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7652 -1.8365 -0.0999 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1882 2.6947 -0.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4245 2.1888 1.2139 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6738 1.6459 -1.5336 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2855 2.7597 -0.3084 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7258 0.8719 1.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5055 0.5842 -0.3273 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1505 -2.7919 -0.1052 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5493 -0.6490 -0.0624 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3078 -2.7755 -0.1607 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4350 1.5230 0.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 2 9 1 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 13 1 0 0 0 0 3 14 1 0 0 0 0 4 6 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 5 7 2 0 0 0 0 5 9 1 0 0 0 0 6 8 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 9 11 2 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

5-hydroxy-3,4-dihydro-2H-naphthalen-1-one

4.2 InChI

InChI=1S/C10H10O2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h1,3,5,11H,2,4,6H2

4.3 InChIKey

YPPZCRZRQHFRBH-UHFFFAOYSA-N

4.4 Canonical SMILES

C1CC2=C(C=CC=C2O)C(=O)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)