2,3-Dimethylanisole

CAT: 0926-FD64635-02Size: 100 gDry Ice: NoHazardous: No

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CAT#:0926-FD64635-02Size:100 g

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CAS Number

2944-49-2

MDL Number

MFCD00008376

Smiles

CC1=C (C (=CC=C1) OC) C

Molecular Formula

C9H12O

Molecular Weight

136.19 g/mol

Controlled

Chemical Information

2,3-Dimethylanisole

CAS Number	2944-49-2
PubChem CID	76269
IUPAC Name	1-methoxy-2,3-dimethylbenzene
Molecular Formula	C9H12O
Molecular Weight	136.19
XLogP	2.5
Topological Polar Surface Area	9.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	101

SMILES

CC1=C(C(=CC=C1)OC)C

InChI

InChI=1S/C9H12O/c1-7-5-4-6-9(10-3)8(7)2/h4-6H,1-3H3

InChIKey

BLMBNEVGYRXFNA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2944-49-2

CID: 76269

Formula: C9H12O

MW: 136.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	136.19
XLogP3	2.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	136.088815002
Monoisotopic Mass	136.088815002
Topological Polar Surface Area	9.2 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	101
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
BAA70611-01	2,5-Dimethylanisole
FD74862-01	3,4-Dimethylanisole
FD70877-01	3,5-Dimethylanisole
FT66102-01	2,2',3,3'-Tetramethylazoxybenzene
FT28160-01	2,2,3,3-Tetramethoxybutane
NBA44493-01	2,2',3,3'-Tetrachlorobiphenyl
QEC80808-01	2,2,3,3-Tetrafluoropropyl 2,2-difluoroacetate
NAA25213	2,3,3,3-Tetrafluoro-2- (1,1,2,2,3,3,3-heptafluoropropoxy) propanoic acid
PRB91610-01	2- (2,2,3,3-Tetrafluoropropoxy) acetonitrile
ARB49574-01	2,2,3,3,3-Pentafluoropropyl carbonochloridate