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4-(2-acetamidophenoxy)butanoic acid

4-(2-acetamidophenoxy)butanoic acid

CAS: 1016689-67-0

Formula: C12H15NO4

SMILES: CC(=O)NC1=C(OCCCC(O)=O)C=CC=C1

IUPAC: 4-(2-acetamidophenoxy)butanoic acid

InChI: InChI=1S/C12H15NO4/c1-9(14)13-10-5-2-3-6-11(10)17-8-4-7-12(15)16/h2-3,5-6H,4,7-8H2,1H3,(H,13,14)(H,15,16)

Composition: C (60.75%), H (6.37%), N (5.90%), O (26.97%)

Molar Mass: 237.255

Atom Count: 32

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 237.100107967
Formal Charge 0
FSP3 0.33
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey QDSRRFGMJNVAGK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 62.92
Topological Polar Surface Area 75.63
Polarizability 23.81
Ring Count 1
Rotatable Bond Count 6

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Key Organics Ltd
Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 1016689-67-0 $51.35-$225.06$51.35$63.37$86.31$143.12$225.06
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