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10479-63-7 | 1H-Isoindole, octahydro-, trans-
CAS No: 10479-63-7 Catalog No: AG007XJ1 MDL No:
Product Description
Catalog Number:
AG007XJ1
Chemical Name:
1H-Isoindole, octahydro-, trans-
CAS Number:
10479-63-7
Molecular Formula:
C8H15N
Molecular Weight:
125.2114
IUPAC Name:
(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole
InChI:
InChI=1S/C8H15N/c1-2-4-8-6-9-5-7(8)3-1/h7-9H,1-6H2/t7-,8-/m0/s1
InChI Key:
ODSNARDHJFFSRH-YUMQZZPRSA-N
SMILES:
C1CC[C@@H]2[C@@H](C1)CNC2
Properties
Complexity:
88.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
125.12g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
125.215g/mol
Monoisotopic Mass:
125.12g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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