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8-[(2R,3R)-3-octyloxiran-2-yl]octanoic acid

8-[(2R,3R)-3-octyloxiran-2-yl]octanoic acid

CAS: 13980-07-9

Formula: C18H34O3

SMILES: CCCCCCCC[C@H]1O[C@@H]1CCCCCCCC(O)=O

IUPAC: 8-[(2R,3R)-3-octyloxiran-2-yl]octanoic acid

InChI: InChI=1S/C18H34O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h16-17H,2-15H2,1H3,(H,19,20)/t16-,17+/m1/s1

Composition: C (72.44%), H (11.48%), O (16.08%)

Molar Mass: 298.467

Atom Count: 55

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 2
Exact Mass 298.250794955
Formal Charge 0
FSP3 0.94
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey IMYZYCNQZDBZBQ-IAGOWNOFSA-N
Lipinski's Rule of Five
Molar Refractivity 85.81
Topological Polar Surface Area 49.83
Polarizability 34.35
Ring Count 1
Rotatable Bond Count 15

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Purity LeadTime CAS PacketSize UnitPrice
98% <6 Days 13980-07-9 $661.25$661.25
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