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[3-carboxy-2-(hexanoyloxy)propyl]trimethylazanium chloride

[3-carboxy-2-(hexanoyloxy)propyl]trimethylazanium chloride

CAS: 6920-35-0

Formula: C13H26ClNO4

SMILES: [Cl-].CCCCCC(=O)OC(CC(O)=O)C[N+](C)(C)C

IUPAC: [3-carboxy-2-(hexanoyloxy)propyl]trimethylazanium chloride

InChI: InChI=1/C13H25NO4.ClH/c1-5-6-7-8-13(17)18-11(9-12(15)16)10-14(2,3)4;/h11H,5-10H2,1-4H3;1H

Composition: C (52.79%), H (8.86%), Cl (11.98%), N (4.74%), O (21.63%)

Molar Mass: 295.8

Atom Count: 45

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 295.155036
Formal Charge 0
FSP3 0.85
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey DTHGTKVOSRYXOK-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 80.23
Topological Polar Surface Area 63.6
Polarizability 27.45
Ring Count 0
Rotatable Bond Count 10

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Purity LeadTime CAS PacketSize UnitPrice
95% <6 Days 6920-35-0 $212.75-$313.95$212.75$313.95
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