CAS No.: 5725-89-3 — 7-Methoxy-3H-phenoxazin-3-one (甲氧基试卤灵)

1. Primary Information

English name:	7-Methoxy-3H-phenoxazin-3-one
CAS No.:	5725-89-3
Molecular formula:	C₁₃H₉NO₃
Molecular weight:	227.21 g/mol
SMILES:	COC1=CC2=C(C=C1)N=C3C=CC(=O)C=C3O2
Structural class:
Other identifiers:	7-methoxy-3H-phenoxazin-3-one 7-methoxyresorufin methoxy-resorufin ether methyl resorufin ether

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	5mg	95%(HPLC)	633	2-8℃	in stock	-
Kehua Intelligence	25mg	95%(HPLC)	1344	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 26 28 0 0 0 0 0 0 0999 V2000 -0.2948 -1.2611 -0.0009 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4504 -1.0703 0.0006 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0140 -1.2544 0.0013 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4353 1.6067 -0.0001 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8411 -0.4876 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7850 0.9112 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5108 -0.5960 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5186 0.8922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0662 -1.1565 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9828 1.6333 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2522 -0.4249 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2109 0.9686 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6551 -1.2863 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8402 1.5609 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9694 -0.6127 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9770 0.8628 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6267 -0.2861 0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0967 -2.2429 -0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9660 2.7206 -0.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0966 1.5952 -0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6556 -2.3714 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8581 2.6455 0.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9390 1.3629 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7073 0.3228 0.9085 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7085 0.3225 -0.9059 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4800 -0.9723 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 7 1 0 0 0 0 2 11 1 0 0 0 0 2 17 1 0 0 0 0 3 15 2 0 0 0 0 4 6 1 0 0 0 0 4 8 2 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 13 2 0 0 0 0 8 14 1 0 0 0 0 9 11 2 0 0 0 0 9 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 12 20 1 0 0 0 0 13 15 1 0 0 0 0 13 21 1 0 0 0 0 14 16 2 0 0 0 0 14 22 1 0 0 0 0 15 16 1 0 0 0 0 16 23 1 0 0 0 0 17 24 1 0 0 0 0 17 25 1 0 0 0 0 17 26 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

7-methoxyphenoxazin-3-one

4.2 InChI

InChI=1S/C13H9NO3/c1-16-9-3-5-11-13(7-9)17-12-6-8(15)2-4-10(12)14-11/h2-7H,1H3

4.3 InChIKey

KNYYMGDYROYBRE-UHFFFAOYSA-N

4.4 Canonical SMILES

COC1=CC2=C(C=C1)N=C3C=CC(=O)C=C3O2

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)