Phloroglucinol Impurity 36

CAT: 1299-RM-P081836-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-P081836-01Size:10 mg

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CAS Number

15939-14-7

Synonyms

1,2,4,5,7-pentahydroxyanthracene-9,10-dione

Molecular Formula

C14H8O7

Molecular Weight

288.21

Target Alternative Name

Phloroglucinol

Product Name Synonym

1,2,4,5,7-pentahydroxyanthracene-9,10-dione

Chemical Information

1,2,4,5,7-Pentahydroxyanthracene-9,10-dione

CAS Number	15939-14-7
PubChem CID	168436077
IUPAC Name	1,2,4,5,7-pentahydroxyanthracene-9,10-dione
Molecular Formula	C14H8O7
Molecular Weight	288.21
XLogP	2.2
Topological Polar Surface Area	135
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	0
Heavy Atom Count	21
Formal Charge	0
Complexity	464

SMILES

C1=C(C=C(C2=C1C(=O)C3=C(C2=O)C(=CC(=C3O)O)O)O)O

InChI

InChI=1S/C14H8O7/c15-4-1-5-9(6(16)2-4)14(21)10-7(17)3-8(18)13(20)11(10)12(5)19/h1-3,15-18,20H

InChIKey

XMRFXCNDRXVWMW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 15939-14-7

CID: 168436077

Formula: C14H8O7

MW: 288.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	288.21
XLogP3	2.2
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	0
Exact Mass	288.02700259
Monoisotopic Mass	288.02700259
Topological Polar Surface Area	135 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	464
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