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2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}adamantane-2-carboxylic acid

2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}adamantane-2-carboxylic acid

CAS: 1092172-31-0

Formula: C26H27NO4

SMILES: OC(=O)C1(NC(=O)OCC2C3=CC=CC=C3C3=CC=CC=C23)C2CC3CC(C2)CC1C3

IUPAC: 2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)adamantane-2-carboxylic acid

InChI: InChI=1S/C26H27NO4/c28-24(29)26(17-10-15-9-16(12-17)13-18(26)11-15)27-25(30)31-14-23-21-7-3-1-5-19(21)20-6-2-4-8-22(20)23/h1-8,15-18,23H,9-14H2,(H,27,30)(H,28,29)

Composition: C (74.80%), H (6.52%), N (3.35%), O (15.33%)

Molar Mass: 417.505

Atom Count: 58

Heavy Atom Count: 31

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 417.194008353
Formal Charge 0
FSP3 0.46
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey RBURZOWRTXGQPH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 115.57
Topological Polar Surface Area 75.63
Polarizability 46.54
Ring Count 6
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 1092172-31-0 $687.70-$4,597.70$687.70$1,147.70$4,597.70
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