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Home > Indoles and Oxindole > 87401-48-7
87401-48-7 | 1H-Isoindole, octahydro-2,3a-dimethyl-
CAS No: 87401-48-7 Catalog No: AG004JS0 MDL No:
Product Description
Catalog Number:
AG004JS0
Chemical Name:
1H-Isoindole, octahydro-2,3a-dimethyl-
CAS Number:
87401-48-7
Molecular Formula:
C10H19N
Molecular Weight:
153.2646
IUPAC Name:
2,7a-dimethyl-3,3a,4,5,6,7-hexahydro-1H-isoindole
InChI:
InChI=1S/C10H19N/c1-10-6-4-3-5-9(10)7-11(2)8-10/h9H,3-8H2,1-2H3
InChI Key:
IDWKGPXTZQKWCT-UHFFFAOYSA-N
SMILES:
CN1CC2C(C1)(C)CCCC2
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.152g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
153.269g/mol
Monoisotopic Mass:
153.152g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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