1- (2,6-dihydroxy-4-methylphenyl) ethanone

CAT: 1731-AP KR 0094-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:1731-AP KR 0094-01Size:1 mg

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CAS Number

1634-34-0

MDL Number

MFCD06656138

Purity

0.95

Smiles

CC (=O) c1c (O) cc (C) cc1O

Shipping Conditions

Room temperature, no cold chain required

Chemical Information

3,5-Dihydroxy-4-acetyltoluene

CAS Number	1634-34-0
PubChem CID	10419531
IUPAC Name	1-(2,6-dihydroxy-4-methylphenyl)ethanone
Molecular Formula	C9H10O3
Molecular Weight	166.17
XLogP	1.8
Topological Polar Surface Area	57.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	167

SMILES

CC1=CC(=C(C(=C1)O)C(=O)C)O

InChI

InChI=1S/C9H10O3/c1-5-3-7(11)9(6(2)10)8(12)4-5/h3-4,11-12H,1-2H3

InChIKey

CUYUORWXJSURNV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1634-34-0

CID: 10419531

Formula: C9H10O3

MW: 166.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	166.17
XLogP3	1.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	166.062994177
Monoisotopic Mass	166.062994177
Topological Polar Surface Area	57.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	167
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
FH 2C 0087-01	2- (2-bromo-4-methylphenyl) -1- (4-methylphenyl) ethanone
AM UF R04b-01	1- (2-methyl-1-benzothiophen-3-yl) -2- (4-methylphenyl) ethanone
AL FB 0049-01	2- (4-chlorophenyl) -6- (4-methylphenyl) -4-phenylpyridine
AL FF 0067-01	2- (4-methylphenyl) -6- (4-nitrophenyl) -4-phenylpyridine
AL FH 0037-01	2- (4-methoxyphenyl) -6- (4-methylphenyl) -4-phenylpyridine
AL FE 0093-01	2- (4-bromophenyl) -6- (4-methylphenyl) -4-phenylpyridine
AM UC 0113-01	2,6-dimethyl-4- (4-methylphenyl) -1,2,4,6-thiatriazinane 1,1-dioxide
FH ME 0001-01	1-[2- (2-methyl-N- (2-methylphenyl) anilino) phenyl]ethanone
AL FF 0069-01	4- (4-chlorophenyl) -2,6-bis (4-methylphenyl) pyridine
AQ A3 0021-01	(2,6-ditert-butyl-4-methylphenyl) 2-methylpropanoate

Catalog	Name
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OR1057768-01	1- (4-Bromo-2-hydroxy-6-methylphenyl) ethanone
OR1059183-01	1- (4-Bromo-2-methoxy-6-methylphenyl) ethanone
PC1023111-01	1- (2-Bromo-6-fluoro-4-methylphenyl) ethanone
PC908040-01	1- (2-Fluoro-6-methylphenyl) ethanone
OR1085663-01	1- (2-chloro-6-methylphenyl) ethanone
OR311273	1- (2-Methoxy-6-methylphenyl) ethanone
TRC-D455425-250MG	1-(2,6-Dihydroxy-3,4,5-trimethylphenyl)ethanone
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