1-Ethoxy-3-methylbenzene

CAT: 0926-AAA62132-01Size: 0.5 gDry Ice: NoHazardous: No

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CAT#:0926-AAA62132-01Size:0.5 g

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CAS Number

621-32-9

MDL Number

MFCD00026783

Smiles

CCOC1=CC=CC (=C1) C

Molecular Formula

C9H12O

Molecular Weight

136.19 g/mol

Controlled

Chemical Information

3-Ethoxytoluene

CAS Number	621-32-9
PubChem CID	69305
IUPAC Name	1-ethoxy-3-methylbenzene
Molecular Formula	C9H12O
Molecular Weight	136.19
XLogP	3
Topological Polar Surface Area	9.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	10
Formal Charge	0
Complexity	90

SMILES

CCOC1=CC=CC(=C1)C

InChI

InChI=1S/C9H12O/c1-3-10-9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3

InChIKey

UALKQROXOHJHFG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 621-32-9

CID: 69305

Formula: C9H12O

MW: 136.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	136.19
XLogP3	3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	136.088815002
Monoisotopic Mass	136.088815002
Topological Polar Surface Area	9.2 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	90.7
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
AAA62260-01	1-Ethoxy-4-methylbenzene
TCA97832-01	4-Ethoxy-2-methylbenzene-1-sulfonamide
MHA47114-01	2-Ethoxy-5-methylbenzene-1-sulfonamide
MHA47128-01	2-Ethoxy-5-methylbenzene-1-sulfonyl chloride
TCA97828-01	4-Ethoxy-2-methylbenzene-1-sulfonyl chloride
UGD90233-01	2-Ethoxy-5-methylbenzene-1,4-diamine
XTB81533-01	5-Bromo-2-ethoxy-N-methylbenzene-1-sulfonamide
AJB02135-01	4-Ethoxy-N- (4-hydroxyphenyl) -N-methylbenzene-1-sulfonamide
BFA79982-01	1- (Azidomethyl) -3-methylbenzene
AAA62047-01	1-Benzyl-3-methylbenzene

Catalog	Name
OR1096278-01	1-Ethoxy-2-methylbenzene
PC1025995-01	1-Ethoxy-3-fluoro-2-methylbenzene
OR1097602-01	1-Chloro-3-ethoxy-2-methylbenzene
OR1096533	1-Bromo-2-ethoxy-3-methylbenzene
OR1094377-01	2-ethoxy-1-iodo-3-methylbenzene
OR1099305-01	2-bromo-1-ethoxy-3-methylbenzene
OR1099031-01	1-Bromo-3-ethoxy-5-methylbenzene
PC1012546	1-Ethoxy-2-fluoro-3-methylbenzene
OR1094241-01	1-Ethoxy-3- (ethylthio) -2-methylbenzene
PC1022857	1-Fluoro-3-ethoxy-5-methylbenzene