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3-acetamido-3-(furan-2-yl)propanoic acid

3-acetamido-3-(furan-2-yl)propanoic acid

CAS: 98996-66-8

Formula: C9H11NO4

SMILES: CC(=O)NC(CC(O)=O)C1=CC=CO1

IUPAC: 3-acetamido-3-(furan-2-yl)propanoic acid

InChI: InChI=1/C9H11NO4/c1-6(11)10-7(5-9(12)13)8-3-2-4-14-8/h2-4,7H,5H2,1H3,(H,10,11)(H,12,13)

Composition: C (54.82%), H (5.62%), N (7.10%), O (32.45%)

Molar Mass: 197.19

Atom Count: 25

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 197.068807838
Formal Charge 0
FSP3 0.33
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey QAOLEQUBYVTGKF-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 46.82
Topological Polar Surface Area 79.54
Polarizability 18.25
Ring Count 1
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 98996-66-8 $213.90-$329.41$213.90$329.41
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