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Semixylenolorange

Semixylenolorange structure

CAS No:
19329-67-0
Formula:
C26H25NO9S
Chemical Name:
Semixylenolorange
Synonyms:
SEMIXYLENOL ORANGE IND;3-(3-Methyl-4-hydroxyphenyl)-3-[3-methyl-4-hydroxy-5-[N,N-bis(carboxymethyl)aminomethyl]phenyl]-3H-2,1-benzoxathiole 1,1-dioxide;Semi-o-cresolphthalexon S;N-(Carboxymethyl)-N-((2-hydroxy-5-(3-(4-hydroxy-3-methylphenyl)-3H-2,1-benzoxathiol-3-yl)-3-methylphenyl)methyl)glycine S,S-dioxide;Semixylenol Orange;Semixylenol orange, AR;indicator for metal titration;Glycine,N-(carboxymethyl)-N-[[2-hydroxy-5-[3-(4-hydroxy-3-methylphenyl)-1,1-dioxido-3H-2,1-benzoxathiol-3-yl]-3-methylphenyl]methyl]-
Categories:
Chemical Reagents > Organic Reagents

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Semixylenolorange Basic Attributes

Molecular Weight：

527.54

Exact Mass：

527.12500255 g/mol

EC Number：

999-999-2

Characteristics

PSA：

170.05000

XLogP3：

3.77740

Density：

1.502±0.06 g/cm3

Boiling Point：

741.7±60.0 °C(Predicted)

Flash Point：

402.3ºC

Refractive Index：

1.675

Vapor Pressure：

4.24E-23mmHg at 25°C

PKA：

1.77±0.10

Drug Information

MeSH Entry Terms：

semi-xylenol orange

Computed Properties

Molecular Weight:527.5
XLogP3:0.5
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:8
Exact Mass:527.12500255
Monoisotopic Mass:527.12500255
Topological Polar Surface Area:170
Heavy Atom Count:37
Complexity:936
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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