1-Ethoxy-2-ethylbenzene

CAT: 0127-OR1073751-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR1073751-01Size:1 g

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CAS Number

29643-62-7

MDL Number

MFCD20390273

Purity

95%

Smiles

CCC1=CC=CC=C1OCC

Chemical Information

1-Ethoxy-2-ethylbenzene

CAS Number	29643-62-7
PubChem CID	12397530
IUPAC Name	1-ethoxy-2-ethylbenzene
Molecular Formula	C10H14O
Molecular Weight	150.22
XLogP	3.5
Topological Polar Surface Area	9.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Heavy Atom Count	11
Formal Charge	0
Complexity	101

SMILES

CCC1=CC=CC=C1OCC

InChI

InChI=1S/C10H14O/c1-3-9-7-5-6-8-10(9)11-4-2/h5-8H,3-4H2,1-2H3

InChIKey

OSMLONWXLNJOPG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 29643-62-7

CID: 12397530

Formula: C10H14O

MW: 150.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	150.22
XLogP3	3.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	150.104465066
Monoisotopic Mass	150.104465066
Topological Polar Surface Area	9.2 Å²
Heavy Atom Count	11
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
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OR1088449-01	1-bromo-3-ethoxy-5-ethylbenzene
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