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(2S,7S)-6-propyl-3,9-dioxa-6-azatricyclo[8.4.0.0²,?]tetradeca-1(14),10,12-trien-13-ol hydrochloride

(2S,7S)-6-propyl-3,9-dioxa-6-azatricyclo[8.4.0.0²,?]tetradeca-1(14),10,12-trien-13-ol hydrochloride

CAS: 112960-16-4

Formula: C14H20ClNO3

SMILES: Cl.[H][C@]12COC3=CC=C(O)C=C3[C@]1([H])OCCN2CCC

IUPAC: (2S,7S)-6-propyl-3,9-dioxa-6-azatricyclo[8.4.0.0²,?]tetradeca-1(14),10,12-trien-13-ol hydrochloride

InChI: InChI=1S/C14H19NO3.ClH/c1-2-5-15-6-7-17-14-11-8-10(16)3-4-13(11)18-9-12(14)15;/h3-4,8,12,14,16H,2,5-7,9H2,1H3;1H/t12-,14-;/m0./s1

Composition: C (58.84%), H (7.05%), Cl (12.41%), N (4.90%), O (16.80%)

Molar Mass: 285.77

Atom Count: 39

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 2
Exact Mass 285.1131712
Formal Charge 0
FSP3 0.57
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey DCFXOTRONMKUJB-KYSPHBLOSA-N
Lipinski's Rule of Five 1
Molar Refractivity 68.76
Topological Polar Surface Area 41.93
Polarizability 27.1
Ring Count 3
Rotatable Bond Count 2

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Selleck Chemicals
Purity LeadTime CAS UnitPrice
98% <10 Days 112960-16-4 Quote Only
Molnova Chemicals
Purity LeadTime CAS PacketSize UnitPrice
98% <4 Days 112960-16-4 $71.09-$541.96$71.09$108.54$356.21$541.96
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