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(3aR,7aS)-5-methoxy-octahydro-1H-isoindole

(3aR,7aS)-5-methoxy-octahydro-1H-isoindole

CAS: 1889255-32-6

Formula: C9H17NO

SMILES: COC1CC[C@@H]2CNC[C@@H]2C1

IUPAC: (3aR,7aS)-5-methoxy-octahydro-1H-isoindole

InChI: InChI=1S/C9H17NO/c1-11-9-3-2-7-5-10-6-8(7)4-9/h7-10H,2-6H2,1H3/t7-,8+,9?/m1/s1

Composition: C (69.63%), H (11.04%), N (9.02%), O (10.31%)

Molar Mass: 155.241

Atom Count: 28

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 3
Exact Mass 155.131014171
Formal Charge 0
FSP3 1
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey ITFYHTVVLZRFHI-WGTSGOJVSA-N
Lipinski's Rule of Five 1
Molar Refractivity 45
Topological Polar Surface Area 21.26
Polarizability 18.07
Ring Count 2
Rotatable Bond Count 1

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96% <2 Days 1889255-32-6 $221.95-$6,359.50$221.95$327.75$540.50$966.00$1,817.00$6,359.50
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