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Methyl 2-Phenylbutanoate

CAT: 0572-TRC-M405670-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-M405670-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2294-71-5
Hazard Statement
No Data Available
Smiles
CCC(C(=O)OC)c1ccccc1
Molecular Formula
C11 H14 O2
Molecular Weight
178.228
InChI
InChI=1S/C11H14O2/c1-3-10(11(12)13-2)9-7-5-4-6-8-9/h4-8,10H,3H2,1-2H3
Additionnal Information
IUPAC name: methyl 2-phenylbutanoate
Shipping Conditions
Room Temperature

Chemical Information

Benzeneacetic acid, alpha-ethyl-, methyl ester
CAS Number2294-71-5
PubChem CID102780
IUPAC Namemethyl 2-phenylbutanoate
Molecular FormulaC11H14O2
Molecular Weight178.23
XLogP2.6
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count13
Formal Charge0
Complexity159
SMILES
CCC(C1=CC=CC=C1)C(=O)OC
InChI
InChI=1S/C11H14O2/c1-3-10(11(12)13-2)9-7-5-4-6-8-9/h4-8,10H,3H2,1-2H3
InChIKey
PPIQQNDMGXNRFA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzeneacetic acid, alpha-ethyl-, methyl ester
CAS: 2294-71-5
CID: 102780
Formula: C11H14O2
MW: 178.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight178.23
XLogP32.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass178.099379685
Monoisotopic Mass178.099379685
Topological Polar Surface Area26.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity159
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
AR-B02319-01Methyl 2-phenylbutanoate
XCA61527-01Methyl 3-methyl-2-phenylbutanoate
GT HW 0410-01Methyl 2-amino-4-phenylbutanoate
RG-E140630-01Methyl 4-phenylbutanoate
JBD34838-01Methyl 2- (aminomethyl) -2-phenylbutanoate hydrochloride
JH915161METHYL 2-BROMO-4-PHENYLBUTANOATE
GAA83700-01Methyl 4-bromo-2-phenylbutanoate
BAC14031-01Methyl 2-chloro-3-phenylbutanoate
OR1986-01Methyl 2-oxo-4-phenylbutanoate
TEA73702-01Methyl 2-amino-2-phenylbutanoate hydrochloride

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