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4-oxo-3-phenyl-4-(prop-2-en-1-yloxy)butanoic acid

4-oxo-3-phenyl-4-(prop-2-en-1-yloxy)butanoic acid

CAS: 1597781-21-9

Formula: C13H14O4

SMILES: OC(=O)CC(C(=O)OCC=C)C1=CC=CC=C1

IUPAC: 4-oxo-3-phenyl-4-(prop-2-en-1-yloxy)butanoic acid

InChI: InChI=1/C13H14O4/c1-2-8-17-13(16)11(9-12(14)15)10-6-4-3-5-7-10/h2-7,11H,1,8-9H2,(H,14,15)

Composition: C (66.66%), H (6.02%), O (27.32%)

Molar Mass: 234.251

Atom Count: 31

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 234.089208931
Formal Charge 0
FSP3 0.23
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey CMNDWLHGOLOEAA-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 62.14
Topological Polar Surface Area 63.6
Polarizability 24.27
Ring Count 1
Rotatable Bond Count 7

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Key Organics Ltd
Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 1597781-21-9 $51.35-$449.02$51.35$63.37$86.31$292.79$449.02
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