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o-Acetyltoluene

CAT: 0572-TRC-A189000-25GSize: 25 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-A189000-25GSize:25 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
577-16-2
Synonyms
1-(2-Methylphenyl)ethanone; 1-(2-Tolyl)ethanone; 1-(o-Tolyl)ethanone; 2-Acetyltoluene; 2-Methylphenyl methyl ketone; 2'-Methylacetophenone; Methyl 2-methylphenyl ketone; Methyl o-tolyl ketone; NSC 84233; o-Acetyltoluene; o-Methylacetophenone; 2’-Methylacetophenone
Hazard Statement
Combustible liquid and vapour.
Smiles
CC(=O)c1ccccc1C
Molecular Formula
C9H10O
Molecular Weight
134.18
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

2-Methylacetophenone

2'-methylacetophenone is a member of the class of acetophenones that is acetophenone which is substituted by a methyl group at position 2. It has a role as an acaricide, a flavouring agent and a fungal metabolite. It is a member of acetophenones and a member of toluenes.

CAS Number577-16-2
PubChem CID11340
IUPAC Name1-(2-methylphenyl)ethanone
Molecular FormulaC9H10O
Molecular Weight134.17
XLogP2
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity129
SMILES
CC1=CC=CC=C1C(=O)C
InChI
InChI=1S/C9H10O/c1-7-5-3-4-6-9(7)8(2)10/h3-6H,1-2H3
InChIKey
YXWWHNCQZBVZPV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Methylacetophenone
CAS: 577-16-2
CID: 11340
Formula: C9H10O
MW: 134.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight134.17
XLogP32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass134.073164938
Monoisotopic Mass134.073164938
Topological Polar Surface Area17.1 Ų
Heavy Atom Count10
Formal Charge0
Complexity129
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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FD41839-013,5-Dihydroxy-4-acetyltoluene
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