2',4',6'-Trihydroxyacetophenone monohydrate

CAT: 0926-FT10622-02Size: 250 gDry Ice: NoHazardous: No

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CAT#:0926-FT10622-02Size:250 g

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CAS Number

249278-28-2

MDL Number

MFCD00149091

Smiles

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

Molecular Formula

C8H8O4·H2O

Molecular Weight

186.15 g/mol

Controlled

Chemical Information

2',4',6'-Trihydroxyacetophenone monohydrate

CAS Number	249278-28-2
PubChem CID	2775149
IUPAC Name	1-(2,4,6-trihydroxyphenyl)ethanone;hydrate
Molecular Formula	C8H10O5
Molecular Weight	186.16
Topological Polar Surface Area	78.8
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	168

SMILES

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

InChI

InChI=1S/C8H8O4.H2O/c1-4(9)8-6(11)2-5(10)3-7(8)12;/h2-3,10-12H,1H3;1H2

InChIKey

GDSIBPPJKSBCMF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 249278-28-2

CID: 2775149

Formula: C8H10O5

MW: 186.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	186.16
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	186.05282342
Monoisotopic Mass	186.05282342
Topological Polar Surface Area	78.8 Å²
Heavy Atom Count	13
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	2
Compound Is Canonicalized	Yes

Catalog	Name
FT67476	2',3',4'-Trihydroxyacetophenone
FT158876-01	3,4,5-Trihydroxyacetophenone
NM70420-01	2-Methylmercapto-4-oxo-6-aminopyrimidine monohydrate
FA08191-01	6-Amino-4-hydroxy-2-mercaptopyrimidine monohydrate
FL180408-01	2,4-Dioxo-1H-pyrimidine-6-carboxylate lithium monohydrate
FC04139-01	2-Chloro-4-hydroxybenzoic acid monohydrate
MD13685-01	2,3:4,6-Di-O-isopropylidene-2-keto-L-gulonic acid monohydrate
FD24891-01	2- (Diethylamino) -N- (2,6-dimethylphenyl) acetamide hydrochloride monohydrate
ND06306-01	2'-Deoxyguanosine monohydrate
ND04011-01	2'-Deoxyadenosine monohydrate

Catalog	Name
TRC-T888025-100MG	2',4',6'-Trihydroxyacetophenone Monohydrate
5092-1g	2′,4′,6′-Trihydroxyacetophenone monohydrate, matrix substance for MALDI-MS, 1 g
sc-265949	2,2,6,6-Tetramethyl-4-piperidone monohydrate
OR1010020-01	2,4,6-Trihydroxybenzoic Acid Monohydrate
D05200-01	2,6-Diamino-4-hydroxypyrimidine monohydrate 97%
258341-01	6-Amino-4-hydroxy-2-mercaptopyrimidine monohydrate
sc-281312	2,6-Dihydroxy-4-methylbenzoic acid monohydrate
OR1079235-01	2,6-Diaminopurine Monohydrate
sc-227046	6-Amino-4-hydroxy-2-naphthalenesulfonic acid monohydrate
PC1023301	2,6-Difluoro-1,4-phenylenediboronic acid monohydrate