2'-Hydroxy-5'-methylpropiophenone

CAT: 0127-OR927866-02Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR927866-02Size:5 g

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CAS Number

938-45-4

MDL Number

MFCD01098830

Purity

97%

Smiles

CCC(=O)c1cc(C)ccc1O

Chemical Information

1-Propanone, 1-(2-hydroxy-5-methylphenyl)-

CAS Number	938-45-4
PubChem CID	70311
IUPAC Name	1-(2-hydroxy-5-methylphenyl)propan-1-one
Molecular Formula	C10H12O2
Molecular Weight	164.20
XLogP	2.9
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	165

SMILES

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

InChI

InChI=1S/C10H12O2/c1-3-9(11)8-6-7(2)4-5-10(8)12/h4-6,12H,3H2,1-2H3

InChIKey

CXZJBPYDVCLMFX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 938-45-4

CID: 70311

Formula: C10H12O2

MW: 164.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	164.20
XLogP3	2.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	164.083729621
Monoisotopic Mass	164.083729621
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	165
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
OR70171-01	2-Hydroxy-2-methylpropiophenone
OR17810-01	2'-Methylpropiophenone
OR6061-01	2-Bromo-2-methylpropiophenone
OR97204-01	2-Bromo-4'-methylpropiophenone
PC9071-01	4'-Fluoro-2-methylpropiophenone
OR951894-01	3'-Methylpropiophenone
OR936436	4'-Methylpropiophenone
OR10854-01	2',4'-Dihydroxy-3'-methylpropiophenone
OR21756-01	2-Bromo-3'-chloro-4'-methylpropiophenone
OR26057	2-Hydroxy-5-methylbenzhydrazide

Catalog	Name
sc-231256	2'-Hydroxy-5'-methylpropiophenone
7473-98-5	2-Hydroxy-2-methylpropiophenone
HY-W017193S	2-Hydroxy-2-methylpropiophenone-d5
H7760-01	2-Hydroxy-4'- (2-hydroxyethoxy) -2-methylpropiophenone
FB168815-01	2-Bromo-2-methylpropiophenone
414017-01	2- (Benzylmethylamino) -4'-methylpropiophenone
TRC-B685625-500MG	2-Bromo-4'-methylpropiophenone
TN9635-01	3'-Methylpropiophenone
TRC-M331175-10G	4′-Methylpropiophenone
GTR19254932-01	4'-Methylpropiophenone