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2-methoxy-5-[(3R,5S,7s)-adamantan-1-yl]benzaldehyde

2-methoxy-5-[(3R,5S,7s)-adamantan-1-yl]benzaldehyde

Formula: C18H22O2

SMILES: COC1=CC=C(C=C1C=O)C12C[C@H]3C[C@H](C[C@H](C3)C1)C2

IUPAC: 2-methoxy-5-[(3R,5S,7s)-adamantan-1-yl]benzaldehyde

InChI: InChI=1S/C18H22O2/c1-20-17-3-2-16(7-15(17)11-19)18-8-12-4-13(9-18)6-14(5-12)10-18/h2-3,7,11-14H,4-6,8-10H2,1H3/t12-,13+,14-,18?

Composition: C (79.96%), H (8.20%), O (11.83%)

Molar Mass: 270.372

Atom Count: 42

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 270.161979948
Formal Charge 0
FSP3 0.61
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey LFTZZTWWFNZEGT-IDUGSBLSSA-N
Lipinski's Rule of Five 1
Molar Refractivity 79.81
Topological Polar Surface Area 26.3
Polarizability 30.89
Ring Count 4
Rotatable Bond Count 3

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C18H22O2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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