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{[(7S)-3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl]methyl}(methyl)amine hydrochloride

{[(7S)-3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl]methyl}(methyl)amine hydrochloride

CAS: 866783-13-3

Formula: C12H18ClNO2

SMILES: Cl.CNC[C@H]1CC2=CC(OC)=C(OC)C=C12

IUPAC: {[(7S)-3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl]methyl}(methyl)amine hydrochloride

InChI: InChI=1S/C12H17NO2.ClH/c1-13-7-9-4-8-5-11(14-2)12(15-3)6-10(8)9;/h5-6,9,13H,4,7H2,1-3H3;1H/t9-;/m1./s1

Composition: C (59.14%), H (7.44%), Cl (14.54%), N (5.75%), O (13.13%)

Molar Mass: 243.73

Atom Count: 34

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 243.1026065
Formal Charge 0
FSP3 0.5
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey SWSAIQSQSDOONK-SBSPUUFOSA-N
Lipinski's Rule of Five 1
Molar Refractivity 60.1
Topological Polar Surface Area 30.49
Polarizability 23.37
Ring Count 2
Rotatable Bond Count 4

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