1- (2-Ethylphenyl) ethanone

CAT: 0926-CAA14264-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0926-CAA14264-01Size:250 mg

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CAS Number

2142-64-5

MDL Number

MFCD00026952

Smiles

CCC1=CC=CC=C1C (=O) C

Molecular Formula

C10H12O

Molecular Weight

148.2 g/mol

Controlled

Chemical Information

2'-Ethylacetophenone

CAS Number	2142-64-5
PubChem CID	16503
IUPAC Name	1-(2-ethylphenyl)ethanone
Molecular Formula	C10H12O
Molecular Weight	148.20
XLogP	2.4
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	140

SMILES

CCC1=CC=CC=C1C(=O)C

InChI

InChI=1S/C10H12O/c1-3-9-6-4-5-7-10(9)8(2)11/h4-7H,3H2,1-2H3

InChIKey

VLILFBZIVHDKIJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2142-64-5

CID: 16503

Formula: C10H12O

MW: 148.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	148.20
XLogP3	2.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	148.088815002
Monoisotopic Mass	148.088815002
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	140
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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