Sulfonfluorescein

CAT: 0024-sc-474259Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-474259Size:1 g

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CAS Number

4424-03-7

Chemical Information

Spiro(3H-2,1-benzoxathiole-3,9'-(9H)xanthene)-3',6'-diol, 1,1-dioxide

structure in first source

CAS Number	4424-03-7
PubChem CID	78140
IUPAC Name	1,1-dioxospiro[2,1lambda6-benzoxathiole-3,9'-xanthene]-3',6'-diol
Molecular Formula	C19H12O6S
Molecular Weight	368.4
XLogP	2.9
Topological Polar Surface Area	101
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	0
Heavy Atom Count	26
Formal Charge	0
Complexity	631

SMILES

C1=CC=C2C(=C1)C3(C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O)OS2(=O)=O

InChI

InChI=1S/C19H12O6S/c20-11-5-7-13-16(9-11)24-17-10-12(21)6-8-14(17)19(13)15-3-1-2-4-18(15)26(22,23)25-19/h1-10,20-21H

InChIKey

VJYGFSGAAOVTLC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4424-03-7

CID: 78140

Formula: C19H12O6S

MW: 368.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	368.4
XLogP3	2.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	0
Exact Mass	368.03545927
Monoisotopic Mass	368.03545927
Topological Polar Surface Area	101 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	631
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes