Phloroglucinol Impurity E

CAT: 1299-RM-P081805-03Size: 50 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-P081805-03Size:50 mg

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CAS Number

533-73-3

Synonyms

Benzene-1,2,4-triol

Molecular Formula

C6H6O3

Molecular Weight

126.11

Target Alternative Name

Phloroglucinol

Product Name Synonym

Benzene-1,2,4-triol

Chemical Information

1,2,4-Benzenetriol

Benzene-1,2,4-triol is a benzenetriol carrying hydroxy groups at positions 1, 2 and 4. It has a role as a mouse metabolite.

CAS Number	533-73-3
PubChem CID	10787
IUPAC Name	benzene-1,2,4-triol
Molecular Formula	C6H6O3
Molecular Weight	126.11
XLogP	1.5
Topological Polar Surface Area	60.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	9
Formal Charge	0
Complexity	94

SMILES

C1=CC(=C(C=C1O)O)O

InChI

InChI=1S/C6H6O3/c7-4-1-2-5(8)6(9)3-4/h1-3,7-9H

InChIKey

GGNQRNBDZQJCCN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 533-73-3

CID: 10787

Formula: C6H6O3

MW: 126.11

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	126.11
XLogP3	1.5
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	126.031694049
Monoisotopic Mass	126.031694049
Topological Polar Surface Area	60.7 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	94.3
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