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(2E,8E)-9-(furan-2-yl)nona-2,8-dien-4,6-diyn-1-yl acetate

(2E,8E)-9-(furan-2-yl)nona-2,8-dien-4,6-diyn-1-yl acetate

CAS: 61582-39-6

Formula: C15H12O3

SMILES: CC(=O)OCC=CC#CC#CC=CC1=CC=CO1

IUPAC: (2E,8E)-9-(furan-2-yl)nona-2,8-dien-4,6-diyn-1-yl acetate

InChI: InChI=1S/C15H12O3/c1-14(16)17-12-8-6-4-2-3-5-7-10-15-11-9-13-18-15/h6-11,13H,12H2,1H3/b8-6+,10-7+

Composition: C (74.99%), H (5.03%), O (19.98%)

Molar Mass: 240.258

Atom Count: 30

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 240.078644246
Formal Charge 0
FSP3 0.13
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey KQELYEKOTPXIHM-NBANWCDVSA-N
Lipinski's Rule of Five 1
Molar Refractivity 72.18
Topological Polar Surface Area 39.44
Polarizability 25.54
Ring Count 1
Rotatable Bond Count 7

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Purity LeadTime CAS PacketSize UnitPrice
98% <4 Days 61582-39-6 $256.07-$1,037.29$256.07$384.49$691.78$1,037.29
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