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Phloroglucide

CAT: 0572-TRC-P339950-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-P339950-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
491-45-2
Synonyms
Phloroglucinol Anhydrous Imp. D (EP); [1,1'-Biphenyl]-2,3',4,5',6-pentol; Phloroglucide (6CI); 2,4,6,3',5'-Biphenylpentol; NSC 65069; Phloroglucinol Impurity D
Hazard Statement
Causes skin irritation
Smiles
Oc1cc(O)c(c(O)c1)c2cc(O)cc(O)c2
Molecular Formula
C12 H10 O5
Molecular Weight
234.2
InChI
InChI=1S/C12H10O5/c13-7-1-6(2-8(14)3-7)12-10(16)4-9(15)5-11(12)17/h1-5,13-17H
Additionnal Information
IUPAC name: 2-(3,5-dihydroxyphenyl)benzene-1,3,5-triol
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Phloroglucide
CAS Number491-45-2
PubChem CID248349
IUPAC Name2-(3,5-dihydroxyphenyl)benzene-1,3,5-triol
Molecular FormulaC12H10O5
Molecular Weight234.20
XLogP1.8
Topological Polar Surface Area101
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count17
Formal Charge0
Complexity237
SMILES
C1=C(C=C(C=C1O)O)C2=C(C=C(C=C2O)O)O
InChI
InChI=1S/C12H10O5/c13-7-1-6(2-8(14)3-7)12-10(16)4-9(15)5-11(12)17/h1-5,13-17H
InChIKey
KICYRZIVKKYRFS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Phloroglucide
CAS: 491-45-2
CID: 248349
Formula: C12H10O5
MW: 234.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight234.20
XLogP31.8
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass234.05282342
Monoisotopic Mass234.05282342
Topological Polar Surface Area101 Ų
Heavy Atom Count17
Formal Charge0
Complexity237
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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