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Home > Indoles and Oxindole > 1422057-21-3
1422057-21-3 | (3aR,7aS)-4-methoxyoctahydro-1H-isoindole
CAS No: 1422057-21-3 Catalog No: AG01DHT4 MDL No:
Product Description
Catalog Number:
AG01DHT4
Chemical Name:
(3aR,7aS)-4-methoxyoctahydro-1H-isoindole
CAS Number:
1422057-21-3
Molecular Formula:
C9H17NO
Molecular Weight:
155.2374
IUPAC Name:
(3aR,7aS)-4-methoxy-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole
InChI:
InChI=1S/C9H17NO/c1-11-9-4-2-3-7-5-10-6-8(7)9/h7-10H,2-6H2,1H3/t7-,8+,9?/m1/s1
InChI Key:
OCDDJFYFVGIEBH-WGTSGOJVSA-N
SMILES:
COC1CCC[C@H]2[C@@H]1CNC2
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
155.131g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
155.241g/mol
Monoisotopic Mass:
155.131g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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