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Home > Indoles and Oxindole > 1802685-16-0
1802685-16-0 | 2,3,3a,4,7,7a-hexahydro-1H-isoindole, cis
CAS No: 1802685-16-0 Catalog No: AG01AUJI MDL No:MFCD08848198
Product Description
Catalog Number:
AG01AUJI
Chemical Name:
2,3,3a,4,7,7a-hexahydro-1H-isoindole, cis
CAS Number:
1802685-16-0
Molecular Formula:
C8H13N
Molecular Weight:
123.1955
MDL Number:
MFCD08848198
IUPAC Name:
(3aS,7aR)-2,3,3a,4,7,7a-hexahydro-1H-isoindole
InChI:
InChI=1S/C8H13N/c1-2-4-8-6-9-5-7(8)3-1/h1-2,7-9H,3-6H2/t7-,8+
InChI Key:
HWZHYUCYEYJQTE-OCAPTIKFSA-N
SMILES:
N1C[C@@H]2[C@H](C1)CC=CC2
UNII:
TT9ML8F6ID
Properties
Complexity:
115
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
123.105g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
123.199g/mol
Monoisotopic Mass:
123.105g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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