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3-(1,1-dioxo-1??-thiomorpholin-4-yl)-3-(4-methoxyphenyl)propanoic acid

3-(1,1-dioxo-1??-thiomorpholin-4-yl)-3-(4-methoxyphenyl)propanoic acid

CAS: 439096-86-3

Formula: C14H19NO5S

SMILES: COC1=CC=C(C=C1)C(CC(O)=O)N1CCS(=O)(=O)CC1

IUPAC: 3-(1,1-dioxo-1??-thiomorpholin-4-yl)-3-(4-methoxyphenyl)propanoic acid

InChI: InChI=1/C14H19NO5S/c1-20-12-4-2-11(3-5-12)13(10-14(16)17)15-6-8-21(18,19)9-7-15/h2-5,13H,6-10H2,1H3,(H,16,17)

Composition: C (53.66%), H (6.11%), N (4.47%), O (25.53%), S (10.23%)

Molar Mass: 313.37

Atom Count: 40

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 313.09839389
Formal Charge 0
FSP3 0.5
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 1
InChIKey UIMZKCALBIDFJG-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 77.12
Topological Polar Surface Area 83.91
Polarizability 31.28
Ring Count 2
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 439096-86-3 $51.35-$225.06$51.35$63.37$86.31$143.12$225.06
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