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2-(4-methylphenyl)oxirane

CAT: 0572-TRC-M355488-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M355488-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
13107-39-6
Hazard Statement
Causes skin irritation
Purity
>95% (HPLC)
Smiles
Cc1ccc(cc1)C2CO2
Molecular Formula
C9H10O
Molecular Weight
134.17
Shipping Conditions
Ice Packs
Storage Conditions
+4°C

Chemical Information

2-(4-Methylphenyl)oxirane

chemical alkylating agents ; structure given in first source

CAS Number13107-39-6
PubChem CID108111
IUPAC Name2-(4-methylphenyl)oxirane
Molecular FormulaC9H10O
Molecular Weight134.17
XLogP2
Topological Polar Surface Area12.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity114
SMILES
CC1=CC=C(C=C1)C2CO2
InChI
InChI=1S/C9H10O/c1-7-2-4-8(5-3-7)9-6-10-9/h2-5,9H,6H2,1H3
InChIKey
QAWJAMQTRGCJMH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(4-Methylphenyl)oxirane
CAS: 13107-39-6
CID: 108111
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 Area12.5 Ų
Heavy Atom Count10
Formal Charge0
Complexity114
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
NAA10739-012- (4-Methylphenyl) oxirane
CAA78326-012- (2-Methylphenyl) oxirane
sc-3521602-{[ (4-methylphenyl) (phenyl) methoxy]methyl}oxirane
OR1002974-01Methyl 3- (4-Methylphenyl) oxirane-2-carboxylate
OR466513- (4-Methylphenyl) oxirane-2-carboxylic acid
WLC45972-012-[ (4-Fluoro-3-methylphenyl) methyl]oxirane
sc-3347282- (2-methoxy-5-methylphenyl) oxirane
UAA57483-012-{[ (2-Methylphenyl) (phenyl) methoxy]methyl}oxirane
UGA27214-012- (4-Ethylphenyl) oxirane
sc-2540542- (4-Chlorophenyl) oxirane

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