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Phenolphthalein, 98%

CAT: 0862-GE0553-250gSize: 250 gDry Ice: NoHazardous: No
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CAT#:0862-GE0553-250gSize:250 g
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CAS Number
77-09-8
EC Number
201-004-7
MDL Number
MFCD00005913
HS Code
29322010
Purity
98.00%
Molecular Formula
C20H14O4
Molecular Weight
318.33
Storage Conditions
+20°C
Hazardous Class
Not hazardous

Chemical Information

Phenolphthalein

Phenolphthalein can cause cancer according to The Food and Drug Administration (FDA) and The National Toxicology Program.

CAS Number77-09-8
PubChem CID4764
IUPAC Name3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one
Molecular FormulaC20H14O4
Molecular Weight318.3
XLogP3.6
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count24
Formal Charge0
Complexity438
SMILES
C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O
InChI
InChI=1S/C20H14O4/c21-15-9-5-13(6-10-15)20(14-7-11-16(22)12-8-14)18-4-2-1-3-17(18)19(23)24-20/h1-12,21-22H
InChIKey
KJFMBFZCATUALV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Phenolphthalein
CAS: 77-09-8
CID: 4764
Formula: C20H14O4
MW: 318.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight318.3
XLogP33.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass318.08920892
Monoisotopic Mass318.08920892
Topological Polar Surface Area66.8 Ų
Heavy Atom Count24
Formal Charge0
Complexity438
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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