2-Hydroxy-5-Methyl-3-Nitroacetophenone

CAT: 0127-OR1029573-02Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR1029573-02Size:5 g

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CAS Number

66108-30-3

Synonyms

1- (2-hydroxy-5-methyl-3-nitrophenyl) ethanone

Purity

98%

Smiles

CC1=CC(=C(C(=C1)[N+](=O)[O-])O)C(=O)C

Chemical Information

2'-Hydroxy-5'-methyl-3'-nitroacetophenone

CAS Number	66108-30-3
PubChem CID	736162
IUPAC Name	1-(2-hydroxy-5-methyl-3-nitrophenyl)ethanone
Molecular Formula	C9H9NO4
Molecular Weight	195.17
XLogP	2
Topological Polar Surface Area	83.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	14
Formal Charge	0
Complexity	248

SMILES

CC1=CC(=C(C(=C1)[N+](=O)[O-])O)C(=O)C

InChI

InChI=1S/C9H9NO4/c1-5-3-7(6(2)11)9(12)8(4-5)10(13)14/h3-4,12H,1-2H3

InChIKey

XSHQMMIEZHWNAK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 66108-30-3

CID: 736162

Formula: C9H9NO4

MW: 195.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	195.17
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	195.05315777
Monoisotopic Mass	195.05315777
Topological Polar Surface Area	83.1 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	248
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
OR345129-01	5'-Bromo-2'-hydroxy-3'-nitroacetophenone
OR345142-01	5'-Chloro-2'-hydroxy-3'-nitroacetophenone
PC49024-01	5'-Fluoro-2'-methyl-3'-nitroacetophenone
OR4297-01	4'-Hydroxy-3'-nitroacetophenone
PC502145	3’,5’-Difluoro-2’-nitroacetophenone
OR4944-01	4-Methyl-3-nitroacetophenone
PC99245-01	2',3'-Difluoro-5'-nitroacetophenone
PC56317-01	6'-Fluoro-2'-methyl-3'-nitroacetophenone
OR400555-01	5’-Bromo-2’-nitroacetophenone
PC501417	3'-Fluoro-5'-nitroacetophenone

Catalog	Name
280061-01	2-Hydroxy-5-methyl-3-nitroacetophenone
sc-231255	2'-Hydroxy-5'-methyl-3'-nitroacetophenone
230413-01	2-Hydroxy-5-methyl-3-nitroacetophenone 99+% (HPLC)
TRC-H948675-10G	2’-Hydroxy-5’-nitroacetophenone
sc-254390	2'-Hydroxy-5'-nitroacetophenone
FH70671-01	2-Hydroxy-5-nitroacetophenone
sc-337006A	5'-Ethyl-2'-hydroxy-3'-nitroacetophenone
FH66472-01	2-Hydroxy-3-nitroacetophenone
MBS6033182-01	3'-Hydroxy-2'-nitroacetophenone
sc-233481	5'-Chloro-2'-hydroxy-3'-nitroacetophenone