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7460-43-7

Basic Information
CAS No.: 7460-43-7
Name: Rubiadin 1-methyl ether
Article Data: 3
Molecular Structure:
Molecular Structure of 7460-43-7 (Rubiadin 1-methyl ether)
Formula: C16H12O4
Molecular Weight: 268.269
Synonyms: 3-Hydroxy-1-methoxy-2-methyl-anthracene-9,10-dione;9,10-Anthracenedione, 3-hydroxy-1-methoxy-2-methyl-;
Density: 1.356 g/cm3
Melting Point: 291 °C
Boiling Point: 502.2 °C at 760 mmHg
Flash Point: 193 °C
PSA: 63.60000
LogP: 2.48460
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  • Rubiadin 1-methyl ether

  • Casno:

    7460-43-7

    Rubiadin 1-methyl ether

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  • Rubiadin-1-methyl ether(7460-43-7)

  • Casno:

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    Rubiadin-1-methyl ether(7460-43-7)

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  • Rubiadin-1-methyl ether

  • Casno:

    7460-43-7

    Rubiadin-1-methyl ether

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  • Rubiadin1-methylether with high qulity

  • Casno:

    7460-43-7

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  • Rubiadin-1-methyl ether

  • Casno:

    7460-43-7

    Rubiadin-1-methyl ether

    Min.Order: 20 Milliliter

    FOB Price:  USD $ 0.0-0.0

    Hight Quality Cas No.: 7460-43-7 Formula: C16H12O4 Mol Weight: 268.268 Botanical Source: Physical Description: Yellow powder Type of Compound: Anthraquinones Analysis Method: HPLC-DAD or/and HPLC-ELSD Identification Method: Mass, NMR Pac

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Specification

The Rubiadin 1-methyl ether, with the CAS registry number 7460-43-7, is also known as 9,10-Anthracenedione, 3-hydroxy-1-methoxy-2-methyl-. This chemical's molecular formula is C16H12O4 and molecular weight is 268.267. Its IUPAC name and systematic name are the same which is called 3-hydroxy-1-methoxy-2-methylanthracene-9,10-dione.

Physical properties about this chemical are: (1)ACD/LogP: 3.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.91; (4)ACD/LogD (pH 7.4): 3.62; (5)ACD/BCF (pH 5.5): 554.28; (6)ACD/BCF (pH 7.4): 281.45; (7)ACD/KOC (pH 5.5): 3191.75; (8)ACD/KOC (pH 7.4): 1620.67; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.649; (13)Molar Refractivity: 72.05 cm3; (14)Molar Volume: 197.7 cm3; (15)Surface Tension: 58.4 dyne/cm; (16)Density: 1.356 g/cm3; (17)Flash Point: 193 °C; (18)Enthalpy of Vaporization: 80.03 kJ/mol; (19)Boiling Point: 502.2 °C at 760 mmHg; (20)Vapour Pressure: 1.05E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C(C=C2C(=C1OC)C(=O)C3=CC=CC=C3C2=O)O
(2)InChI: InChI=1S/C16H12O4/c1-8-12(17)7-11-13(16(8)20-2)15(19)10-6-4-3-5-9(10)14(11)18/h3-7,17H,1-2H3
(3)InChIKey: NTBUBTCXACOEEC-UHFFFAOYSA-N