3,4,5-Trihydroxyacetophenone

CAT: 0926-FT158876-03Size: 0.25 gDry Ice: NoHazardous: No

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CAT#:0926-FT158876-03Size:0.25 g

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CAS Number

33709-29-4

MDL Number

MFCD01673354

Smiles

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

Molecular Formula

C8H8O4

Molecular Weight

168.15 g/mol

Controlled

Chemical Information

3',4',5'-Trihydroxyacetophenone

CAS Number	33709-29-4
PubChem CID	36586
IUPAC Name	1-(3,4,5-trihydroxyphenyl)ethanone
Molecular Formula	C8H8O4
Molecular Weight	168.15
XLogP	0.9
Topological Polar Surface Area	77.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	168

SMILES

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

InChI

InChI=1S/C8H8O4/c1-4(9)5-2-6(10)8(12)7(11)3-5/h2-3,10-12H,1H3

InChIKey

IBKQQKPQRYUGBJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 33709-29-4

CID: 36586

Formula: C8H8O4

MW: 168.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	168.15
XLogP3	0.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	168.04225873
Monoisotopic Mass	168.04225873
Topological Polar Surface Area	77.8 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	168
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

Catalog	Name
FT67476	2',3',4'-Trihydroxyacetophenone
FT10622-01	2',4',6'-Trihydroxyacetophenone monohydrate
FH146375-01	3,3'4,4'5,5'-Hexabromobiphenyl
PBA63531-01	2,3,3',4,4',5,5'-Heptachlorobiphenyl
FH146371-01	2,3,3',4,4',5,5'-Heptabromobiphenyl
HHC68097-01	3,3,4,4,5,5-Hexafluoropiperidine hydrochloride
PBA63533-01	3,3',4,5,5'-Pentachlorobiphenyl
FH82722-01	3,3,4,4,5,5,5-Heptafluoro-1-pentanol
SCA88900-01	2,2',3,3',4,4',5,5'-Octabromobiphenyl
PQC20759-01	3,3,4,4,5,5-Hexafluoropentan-1-ol

Catalog	Name
OR4951-01	2',3',4'-Trihydroxyacetophenone
419919-01	2,3,4-Trihydroxyacetophenone
OR4838-01	2',4',6'-Trihydroxyacetophenone
TRC-T888025-100MG	2',4',6'-Trihydroxyacetophenone Monohydrate
289787-01	2',4',6'-Trihydroxyacetophenone hydrate
T24455-01	2,4,6-Trihydroxyacetophenone hydrate 98%
288200-01	2-Phenyl-2',4',6'-trihydroxyacetophenone
230660-01	2-Phenyl-2',4',6'-trihydroxyacetophenone 99+% (HPLC)
GTR19279155-01	2′,4′,6′-trihydroxyacetophenone 4′-O-[4,6- (S) -hexahydroxydiphenoyl]-β-glucoside
5092-1g	2′,4′,6′-Trihydroxyacetophenone monohydrate, matrix substance for MALDI-MS, 1 g