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2-[(tert-butoxycarbonyl)amino]pyridine-3-carboxylic acid

2-[(tert-butoxycarbonyl)amino]pyridine-3-carboxylic acid

CAS: 934373-39-4

Formula: C11H14N2O4

SMILES: CC(C)(C)OC(=O)NC1=NC=CC=C1C(O)=O

IUPAC: 2-{[(tert-butoxy)carbonyl]amino}pyridine-3-carboxylic acid

InChI: InChI=1S/C11H14N2O4/c1-11(2,3)17-10(16)13-8-7(9(14)15)5-4-6-12-8/h4-6H,1-3H3,(H,14,15)(H,12,13,16)

Composition: C (55.46%), H (5.92%), N (11.76%), O (26.86%)

Molar Mass: 238.243

Atom Count: 31

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 238.095356939
Formal Charge 0
FSP3 0.36
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey QOLVIDCTVDCBCQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 61.76
Topological Polar Surface Area 88.52
Polarizability 22.95
Ring Count 1
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 934373-39-4 $1,460.00-$3,520.00$1,460.00$2,860.00$3,520.00
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