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Diethyl 2-allyl-2-phenylmalonate

CAT: 0572-TRC-D443738-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D443738-10MGSize:10 mg
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CAS Number
50790-26-6
Synonyms
Diethyl 1-Phenyl-3-butene-1,1-dicarboxylate; Phenyl-2-propenyl-propanedioic Acid Diethyl Ester
Hazard Statement
No Data Available
Smiles
COC(=O)C(C1CCCCN1)c2ccc(F)cc2
Molecular Formula
C14 H18 F N O2
Molecular Weight
251.297
InChI
InChI=1S/C14H18FNO2/c1-18-14(17)13(12-4-2-3-9-16-12)10-5-7-11(15)8-6-10/h5-8,12-13,16H,2-4,9H2,1H3
Additionnal Information
IUPAC name: methyl 2-(4-fluorophenyl)-2-piperidin-2-ylacetate
Shipping Conditions
Room Temperature

Chemical Information

1,3-Diethyl 2-phenyl-2-(prop-2-en-1-yl)propanedioate
CAS Number50790-26-6
PubChem CID10683862
IUPAC Namediethyl 2-phenyl-2-prop-2-enylpropanedioate
Molecular FormulaC16H20O4
Molecular Weight276.33
XLogP3.5
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Heavy Atom Count20
Formal Charge0
Complexity324
SMILES
CCOC(=O)C(CC=C)(C1=CC=CC=C1)C(=O)OCC
InChI
InChI=1S/C16H20O4/c1-4-12-16(14(17)19-5-2,15(18)20-6-3)13-10-8-7-9-11-13/h4,7-11H,1,5-6,12H2,2-3H3
InChIKey
UNVUUVYPBGPMGH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,3-Diethyl 2-phenyl-2-(prop-2-en-1-yl)propanedioate
CAS: 50790-26-6
CID: 10683862
Formula: C16H20O4
MW: 276.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight276.33
XLogP33.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Exact Mass276.13615911
Monoisotopic Mass276.13615911
Topological Polar Surface Area52.6 Ų
Heavy Atom Count20
Formal Charge0
Complexity324
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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Alternative Products

CatalogName
OR1052526-01Diethyl 2-methyl-2-phenylmalonate
OR28664-01Diethyl 2-ethyl-2-phenylmalonate
sc-227847Diethyl phenylmalonate
237338-01Diethyl 2-ethyl-2-phenylmalonate ≥96%
D24300Diethyl Phenylmalonate 98%
446835Diethyl Ethyl-d5-phenylmalonate
FAA30950-01Diethyl 2-allyl-2- (2-methylallyl) malonate
446785-01Diethyl 2-allyl-2- (2-methylallyl) malonate discontinued
162594Allyl Diethyl Phosphate
sc-234653Diethyl allyl phosphate

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