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Methylxanthoxylin

Methylxanthoxylin structure

CAS No:
23121-32-6
Formula:
C11H14O4
Chemical Name:
Methylxanthoxylin
Synonyms:
Ethanone,1-(2-hydroxy-4,6-dimethoxy-3-methylphenyl)-;Acetophenone,2′-hydroxy-4′,6′-dimethoxy-3′-methyl-;1-(2-Hydroxy-4,6-dimethoxy-3-methylphenyl)ethanone;2-Hydroxy-4,6-dimethoxy-3-methylacetophenone;Methylxanthoxylin;Methylxanthoxyline;3-Methylxanthoxylin;NSC 296648;1-(2-Hydroxy-4,6-dimethoxy-3-methylphenyl)ethan-1-one

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Description

Solid

2'-Hydroxy-4',6'-dimethoxy-3'-methylacetophenone is an aromatic ketone.

Methylxanthoxylin Basic Attributes

Molecular Weight：

210.22600

Exact Mass：

210.23

UNII：

LNH3WA4DXC

NSC Number：

296648

DSSTox ID：

DTXSID40315726

HScode：

2914509090

Characteristics

PSA：

55.76000

XLogP3：

1.92040

Density：

1.144g/cm3

Melting Point：

141-142 °C

Boiling Point：

362.4ºC at 760mmHg

Flash Point：

140.5ºC

Refractive Index：

1.525

Vapor Pressure：

9.26E-06mmHg at 25°C

Collision Cross Section：

140.2 Å² [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]

Computed Properties

Molecular Weight:210.23
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:210.08920892
Monoisotopic Mass:210.08920892
Topological Polar Surface Area:55.8
Heavy Atom Count:15
Complexity:229
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Methylxanthoxylin

Description
Basic Attributes
Characteristics
Computed Properties

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