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3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide

3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide

CAS: 545395-94-6

Formula: C21H23NO3

SMILES: CC(C)(C)C1=CC=C(C=CC(=O)NC2=CC3=C(OCCO3)C=C2)C=C1

IUPAC: 3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide

InChI: InChI=1S/C21H23NO3/c1-21(2,3)16-7-4-15(5-8-16)6-11-20(23)22-17-9-10-18-19(14-17)25-13-12-24-18/h4-11,14H,12-13H2,1-3H3,(H,22,23)

Composition: C (74.75%), H (6.87%), N (4.15%), O (14.22%)

Molar Mass: 337.419

Atom Count: 48

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 337.167793605
Formal Charge 0
FSP3 0.29
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey GZTFUVZVLYUPRG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 100.96
Topological Polar Surface Area 47.56
Polarizability 37.99
Ring Count 3
Rotatable Bond Count 4

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Purity LeadTime CAS UnitPrice
98% <10 Days 545395-94-6 Quote Only
Selleck Chemicals
Purity LeadTime CAS UnitPrice
98% <10 Days 545395-94-6 Quote Only
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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 545395-94-6 $51.35-$86.31$51.35$69.92$86.31
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