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Amiloxate

CAT: 1299-RM-A133000-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-A133000-02Size:25 mg
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CAS Number
71617-10-2
Synonyms
Isopentyl 3- (4-methoxyphenyl) acrylate
Molecular Formula
C15H20O3
Molecular Weight
248.32
Target Alternative Name
Amiloxate
Product Name Synonym
Isopentyl 3- (4-methoxyphenyl) acrylate

Chemical Information

Isoamyl p-methoxycinnamate
CAS Number71617-10-2
PubChem CID92386
IUPAC Name3-methylbutyl 3-(4-methoxyphenyl)prop-2-enoate
Molecular FormulaC15H20O3
Molecular Weight248.32
XLogP3.9
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Heavy Atom Count18
Formal Charge0
Complexity263
SMILES
CC(C)CCOC(=O)C=CC1=CC=C(C=C1)OC
InChI
InChI=1S/C15H20O3/c1-12(2)10-11-18-15(16)9-6-13-4-7-14(17-3)8-5-13/h4-9,12H,10-11H2,1-3H3
InChIKey
UBNYRXMKIIGMKK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Isoamyl p-methoxycinnamate
CAS: 71617-10-2
CID: 92386
Formula: C15H20O3
MW: 248.32
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight248.32
XLogP33.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Exact Mass248.14124450
Monoisotopic Mass248.14124450
Topological Polar Surface Area35.5 Ų
Heavy Atom Count18
Formal Charge0
Complexity263
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
C09216Amiloxate