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Phenol Red Sodium salt

CAT: 1507-01978 00025Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1507-01978 00025Size:25 mg
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CAS Number
34487-61-1

Chemical Information

Phenol red sodium
CAS Number34487-61-1
PubChem CID4013450
IUPAC Namesodium 2-[(4-hydroxyphenyl)-(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonate
Molecular FormulaC19H13NaO5S
Molecular Weight376.4
Topological Polar Surface Area103
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge0
Complexity691
SMILES
C1=CC=C(C(=C1)C(=C2C=CC(=O)C=C2)C3=CC=C(C=C3)O)S(=O)(=O)[O-].[Na+]
InChI
InChI=1S/C19H14O5S.Na/c20-15-9-5-13(6-10-15)19(14-7-11-16(21)12-8-14)17-3-1-2-4-18(17)25(22,23)24;/h1-12,20H,(H,22,23,24);/q;+1/p-1
InChIKey
RBFZWTMVVUVHLM-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Phenol red sodium
CAS: 34487-61-1
CID: 4013450
Formula: C19H13NaO5S
MW: 376.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight376.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass376.03813897
Monoisotopic Mass376.03813897
Topological Polar Surface Area103 Ų
Heavy Atom Count26
Formal Charge0
Complexity691
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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