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3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}bicyclo[1.1.1]pentane-1-carboxylic acid

3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}bicyclo[1.1.1]pentane-1-carboxylic acid

CAS: 676371-66-7

Formula: C21H19NO4

SMILES: OC(=O)C12CC(C1)(C2)NC(=O)OCC1C2=C(C=CC=C2)C2=C1C=CC=C2

IUPAC: 3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)bicyclo[1.1.1]pentane-1-carboxylic acid

InChI: InChI=1S/C21H19NO4/c23-18(24)20-10-21(11-20,12-20)22-19(25)26-9-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,17H,9-12H2,(H,22,25)(H,23,24)

Composition: C (72.19%), H (5.48%), N (4.01%), O (18.32%)

Molar Mass: 349.386

Atom Count: 45

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 349.131408096
Formal Charge 0
FSP3 0.33
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey XMTSSOBUBCTQKW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 94.71
Topological Polar Surface Area 75.63
Polarizability 38.06
Ring Count 5
Rotatable Bond Count 5

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Purity LeadTime CAS UnitPrice
97% <10 Days 676371-66-7 Quote Only
Custom Synthesis. Higher purity available. Multi gram to multi kg