Phloroglucinol Impurity 37

CAT: 1299-RM-P081837-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-P081837-01Size:10 mg

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CAS Number

121449-71-6

Synonyms

Dibenzo[b, e][1,4]dioxine-1,3,6,8-tetraol

Molecular Formula

C12H8O6

Molecular Weight

248.19

Target Alternative Name

Phloroglucinol

Product Name Synonym

Dibenzo[b, e][1,4]dioxine-1,3,6,8-tetraol

Chemical Information

Dibenzo[b,e][1,4]dioxin-1,3,6,8-tetrol

Dibenzo-p-dioxin-2,4,7,9-tetraol has been reported in Ecklonia maxima with data available.

CAS Number	121449-71-6
PubChem CID	14309078
IUPAC Name	dibenzo-p-dioxin-1,3,6,8-tetrol
Molecular Formula	C12H8O6
Molecular Weight	248.19
XLogP	2.4
Topological Polar Surface Area	99.4
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	0
Heavy Atom Count	18
Formal Charge	0
Complexity	281

SMILES

C1=C(C=C2C(=C1O)OC3=CC(=CC(=C3O2)O)O)O

InChI

InChI=1S/C12H8O6/c13-5-1-7(15)11-9(3-5)18-12-8(16)2-6(14)4-10(12)17-11/h1-4,13-16H

InChIKey

YGRMPMIDAOECSI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 121449-71-6

CID: 14309078

Formula: C12H8O6

MW: 248.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	248.19
XLogP3	2.4
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	0
Exact Mass	248.03208797
Monoisotopic Mass	248.03208797
Topological Polar Surface Area	99.4 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	281
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