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3',6'-dihydroxy-4',5'-dimethyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid

3',6'-dihydroxy-4',5'-dimethyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid structure

CAS No:
100111-02-2
Formula:
C23H16O7
Chemical Name:
3',6'-dihydroxy-4',5'-dimethyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid
Synonyms:
5-Carboxy-4',5'-dimethylfluorescein; Me2CF; 4',5'-Dimethyl-5-carboxyfluorescein; Spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-5-carboxylicacid,3',6'-dihydroxy-4',5'-dimethyl-3-oxo;

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3',6'-dihydroxy-4',5'-dimethyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid Basic Attributes

Molecular Weight：

404.36900

Exact Mass：

404.08960285 g/mol

DSSTox ID：

DTXSID30142947

Characteristics

PSA：

113.29000

XLogP3：

3.98080

Density：

1.62g/cm3

Boiling Point：

703.5ºC

Flash Point：

252.5ºC

Refractive Index：

1.771

Vapor Pressure：

9.05E-21mmHg at 25°C

Drug Information

MeSH Entry Terms：

4',5'-dimethyl-5-carboxyfluorescein

Computed Properties

Molecular Weight:404.4
XLogP3:3.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:1
Exact Mass:404.08960285
Monoisotopic Mass:404.08960285
Topological Polar Surface Area:113
Heavy Atom Count:30
Complexity:692
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3',6'-dihydroxy-4',5'-dimethyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid

Basic Attributes
Characteristics
Drug Information
Computed Properties
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