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

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

CAS: 655255-06-4

Formula: C10H13NO5

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

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

InChI: InChI=1S/C10H13NO5/c1-10(2,3)16-9(14)11-6-4-5-15-7(6)8(12)13/h4-5H,1-3H3,(H,11,14)(H,12,13)

Composition: C (52.86%), H (5.77%), N (6.16%), O (35.21%)

Molar Mass: 227.216

Atom Count: 29

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 227.079372523
Formal Charge 0
FSP3 0.4
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey NBZNSNPSQJFTQF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 56
Topological Polar Surface Area 88.77
Polarizability 20.8
Ring Count 1
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
95% 1 Day 655255-06-4 $147.42-$1,592.14$147.42$265.36$530.71$1,592.14
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