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(1R,5S)-5-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}cyclohex-3-ene-1-carboxylic acid

(1R,5S)-5-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}cyclohex-3-ene-1-carboxylic acid

CAS: 2140263-48-3

Formula: C22H21NO4

SMILES: OC(=O)[C@@H]1CC=C[C@H](C1)NC(=O)OCC1C2=CC=CC=C2C2=CC=CC=C12

IUPAC: (1R,5S)-5-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)cyclohex-3-ene-1-carboxylic acid

InChI: InChI=1S/C22H21NO4/c24-21(25)14-6-5-7-15(12-14)23-22(26)27-13-20-18-10-3-1-8-16(18)17-9-2-4-11-19(17)20/h1-5,7-11,14-15,20H,6,12-13H2,(H,23,26)(H,24,25)/t14-,15-/m1/s1

Composition: C (72.71%), H (5.82%), N (3.85%), O (17.61%)

Molar Mass: 363.413

Atom Count: 48

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 2
Exact Mass 363.14705816
Formal Charge 0
FSP3 0.27
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey BMYSYUOLLGYGLW-HUUCEWRRSA-N
Lipinski's Rule of Five 1
Molar Refractivity 102.22
Topological Polar Surface Area 75.63
Polarizability 40.39
Ring Count 4
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 2140263-48-3 $11,477.00-$3,312.00$2,297.70$3,312.00$11,477.00
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