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Home > Indoles and Oxindole > 10533-30-9
10533-30-9 | 2,3,3a,4,7,7a-Hexahydro-1H-isoindole
CAS No: 10533-30-9 Catalog No: AG007WQH MDL No:MFCD12198433
Product Description
Catalog Number:
AG007WQH
Chemical Name:
2,3,3a,4,7,7a-Hexahydro-1H-isoindole
CAS Number:
10533-30-9
Molecular Formula:
C8H13N
Molecular Weight:
123.1955
MDL Number:
MFCD12198433
IUPAC Name:
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
InChI Key:
HWZHYUCYEYJQTE-UHFFFAOYSA-N
SMILES:
N1CC2C(C1)CC=CC2
Properties
Complexity:
115
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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