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518-47-8 molecular structure
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disodium 2-(6-oxido-3-oxo-3H-xanthen-9-yl)benzoate

ChemBase ID: 105941
Molecular Formular: C20H10Na2O5
Molecular Mass: 376.26994
Monoisotopic Mass: 376.03236198
SMILES and InChIs

SMILES:
[Na+].[Na+].[O-]C(=O)c1ccccc1c1c2ccc(=O)cc2oc2cc([O-])ccc12
Canonical SMILES:
[O-]c1ccc2c(c1)oc1c(c2c2ccccc2C(=O)[O-])ccc(=O)c1.[Na+].[Na+]
InChI:
InChI=1S/C20H12O5.2Na/c21-11-5-7-15-17(9-11)25-18-10-12(22)6-8-16(18)19(15)13-3-1-2-4-14(13)20(23)24;;/h1-10,21H,(H,23,24);;/q;2*+1/p-2
InChIKey:
NJDNXYGOVLYJHP-UHFFFAOYSA-L

Cite this record

CBID:105941 http://www.chembase.cn/molecule-105941.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
disodium 2-(6-oxido-3-oxo-3H-xanthen-9-yl)benzoate
IUPAC Traditional name
dipotassium 2-(3-oxido-6-oxoxanthen-9-yl)benzoate
Synonyms
Soluble Fluorescein
C.I. 45350
Aizen Uranine
Calcocid Uranine B4315
D &
C Yellow No. 8
Disodium-6-Hydroxy-3-oxo-9-Xanthene-o-Benzoate
FLUORESCEIN DISODIUM SALT
CAS Number
518-47-8
EC Number
208-253-0
PubChem SID
162092628
PubChem CID
10608

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
02195184 external link Add to cart Please log in.
Data Source Data ID
PubChem 10608 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.6970954  H Acceptors
H Donor LogD (pH = 5.5) 1.1297818 
LogD (pH = 7.4) -0.5374868  Log P 3.0129962 
Molar Refractivity 124.799995 cm3 Polarizability 34.025246 Å3
Polar Surface Area 89.49 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
360°C expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
RTECS
LM5425000 expand Show data source
MSDS Link
Download expand Show data source
Purity
≥95% expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 02195184 external link
Disodium Salt
Crystalline
Purity: 95+%

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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