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2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-5-methylhexanoic acid

2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-5-methylhexanoic acid

CAS: 360781-30-2

Formula: C22H25NO4

SMILES: CC(C)CCC(NC(=O)OCC1C2=CC=CC=C2C2=CC=CC=C12)C(O)=O

IUPAC: 2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-5-methylhexanoic acid

InChI: InChI=1/C22H25NO4/c1-14(2)11-12-20(21(24)25)23-22(26)27-13-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h3-10,14,19-20H,11-13H2,1-2H3,(H,23,26)(H,24,25)

Composition: C (71.91%), H (6.86%), N (3.81%), O (17.42%)

Molar Mass: 367.445

Atom Count: 52

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 367.178358289
Formal Charge 0
FSP3 0.36
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey UJOQOPBFLFQOJJ-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 102.85
Topological Polar Surface Area 75.63
Polarizability 41.36
Ring Count 3
Rotatable Bond Count 8

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Purity LeadTime CAS UnitPrice
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