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3-[2-(2-{2-[({bicyclo[6.1.0]non-4-yn-9-ylmethoxy}carbonyl)amino]ethoxy}ethoxy)ethoxy]propanoic acid

3-[2-(2-{2-[({bicyclo[6.1.0]non-4-yn-9-ylmethoxy}carbonyl)amino]ethoxy}ethoxy)ethoxy]propanoic acid

CAS: 1807501-82-1

Formula: C20H31NO7

SMILES: OC(=O)CCOCCOCCOCCNC(=O)OCC1C2CCC#CCCC12

IUPAC: 3-{2-[2-(2-{[({bicyclo[6.1.0]non-4-yn-9-yl}methoxy)carbonyl]amino}ethoxy)ethoxy]ethoxy}propanoic acid

InChI: InChI=1/C20H31NO7/c22-19(23)7-9-25-11-13-27-14-12-26-10-8-21-20(24)28-15-18-16-5-3-1-2-4-6-17(16)18/h16-18H,3-15H2,(H,21,24)(H,22,23)

Composition: C (60.44%), H (7.86%), N (3.52%), O (28.18%)

Molar Mass: 397.468

Atom Count: 59

Heavy Atom Count: 28

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 2
Exact Mass 397.210052342
Formal Charge 0
FSP3 0.8
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 2
InChIKey NRDCHHRLBMBFHZ-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 101.9
Topological Polar Surface Area 103.32
Polarizability 39.62
Ring Count 2
Rotatable Bond Count 15

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95% <2 Days 1807501-82-1 $217.35-$680.40$217.35$330.75$680.40
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