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3-[(tert-butoxycarbonyl)amino]-5-methoxypyridine-4-carboxylic acid

3-[(tert-butoxycarbonyl)amino]-5-methoxypyridine-4-carboxylic acid

CAS: 709666-22-8

Formula: C12H16N2O5

SMILES: COC1=CN=CC(NC(=O)OC(C)(C)C)=C1C(O)=O

IUPAC: 3-{[(tert-butoxy)carbonyl]amino}-5-methoxypyridine-4-carboxylic acid

InChI: InChI=1S/C12H16N2O5/c1-12(2,3)19-11(17)14-7-5-13-6-8(18-4)9(7)10(15)16/h5-6H,1-4H3,(H,14,17)(H,15,16)

Composition: C (53.73%), H (6.01%), N (10.44%), O (29.82%)

Molar Mass: 268.269

Atom Count: 35

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 268.105921623
Formal Charge 0
FSP3 0.42
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 2
InChIKey NFKMWUQJFMOTPS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 67.91
Topological Polar Surface Area 97.75
Polarizability 25.51
Ring Count 1
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 709666-22-8 $342.24-$962.55$342.24$534.75$962.55
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Purity LeadTime CAS PacketSize UnitPrice
96% <2 Days 709666-22-8 $201.25-$4,597.70$201.25$286.35$457.70$687.70$1,147.70$4,597.70
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