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Home > Indoles and Oxindole > 1422057-09-7
1422057-09-7 | (3aR,7aS)-4-(cyclopropylmethoxy)octahydro-1H-isoindole
CAS No: 1422057-09-7 Catalog No: AG01DIN1 MDL No:
Product Description
Catalog Number:
AG01DIN1
Chemical Name:
(3aR,7aS)-4-(cyclopropylmethoxy)octahydro-1H-isoindole
CAS Number:
1422057-09-7
Molecular Formula:
C12H21NO
Molecular Weight:
195.3012
IUPAC Name:
(3aR,7aS)-4-(cyclopropylmethoxy)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole
InChI:
InChI=1S/C12H21NO/c1-2-10-6-13-7-11(10)12(3-1)14-8-9-4-5-9/h9-13H,1-8H2/t10-,11+,12?/m1/s1
InChI Key:
CPNRNIJRHPMENH-UBNQGINQSA-N
SMILES:
C1C[C@@H]2CNC[C@@H]2C(C1)OCC1CC1
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
195.162g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.306g/mol
Monoisotopic Mass:
195.162g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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