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3-hydroxy-2-[(5-hydroxypyridin-3-yl)formamido]propanoic acid

3-hydroxy-2-[(5-hydroxypyridin-3-yl)formamido]propanoic acid

CAS: 28854-76-4

Formula: C9H10N2O5

SMILES: OCC(NC(=O)C1=CC(O)=CN=C1)C(O)=O

IUPAC: 3-hydroxy-2-[(5-hydroxypyridin-3-yl)formamido]propanoic acid

InChI: InChI=1/C9H10N2O5/c12-4-7(9(15)16)11-8(14)5-1-6(13)3-10-2-5/h1-3,7,12-13H,4H2,(H,11,14)(H,15,16)

Composition: C (47.79%), H (4.46%), N (12.39%), O (35.37%)

Molar Mass: 226.188

Atom Count: 26

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 226.05897143
Formal Charge 0
FSP3 0.22
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 4
InChIKey NKUUBZSAYZZZBH-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 51.98
Topological Polar Surface Area 119.75
Polarizability 19.76
Ring Count 1
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 28854-76-4 $213.90-$329.41$213.90$329.41
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