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9-{[({2-[2-(2-{2-[(4-nitrophenoxycarbonyl)oxy]ethoxy}ethoxy)ethoxy]ethyl}carbamoyl)oxy]methyl}bicyclo[6.1.0]non-4-yne

9-{[({2-[2-(2-{2-[(4-nitrophenoxycarbonyl)oxy]ethoxy}ethoxy)ethoxy]ethyl}carbamoyl)oxy]methyl}bicyclo[6.1.0]non-4-yne

CAS: 2126749-78-6

Formula: C26H34N2O10

SMILES: [O-][N+](=O)C1=CC=C(OC(=O)OCCOCCOCCOCCNC(=O)OCC2C3CCC#CCCC23)C=C1

IUPAC: 9-({[(2-{2-[2-(2-{[(4-nitrophenoxy)carbonyl]oxy}ethoxy)ethoxy]ethoxy}ethyl)carbamoyl]oxy}methyl)bicyclo[6.1.0]non-4-yne

InChI: InChI=1/C26H34N2O10/c29-25(37-19-24-22-5-3-1-2-4-6-23(22)24)27-11-12-33-13-14-34-15-16-35-17-18-36-26(30)38-21-9-7-20(8-10-21)28(31)32/h7-10,22-24H,3-6,11-19H2,(H,27,29)

Composition: C (58.42%), H (6.41%), N (5.24%), O (29.93%)

Molar Mass: 534.562

Atom Count: 72

Heavy Atom Count: 38

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 2
Exact Mass 534.221345303
Formal Charge 0
FSP3 0.62
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 8
Hydrogen Bond Donor Count 1
InChIKey BVZOGCXKPKMYGZ-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 134.28
Topological Polar Surface Area 144.69
Polarizability 52.07
Ring Count 3
Rotatable Bond Count 19

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Purity (%)
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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 2126749-78-6 $378.00-$1,115.10$378.00$652.05$1,115.10
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