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Home > Indoles and Oxindole > 6949-87-7
6949-87-7 | Octahydro-1H-isoindole hydrochloride
CAS No: 6949-87-7 Catalog No: AG005XKZ MDL No:MFCD21604017
Product Description
Catalog Number:
AG005XKZ
Chemical Name:
Octahydro-1H-isoindole hydrochloride
CAS Number:
6949-87-7
Molecular Formula:
C8H16ClN
Molecular Weight:
161.6723
MDL Number:
MFCD21604017
IUPAC Name:
2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole;hydrochloride
InChI:
InChI=1S/C8H15N.ClH/c1-2-4-8-6-9-5-7(8)3-1;/h7-9H,1-6H2;1H
InChI Key:
CLQIZUYXKFTUEB-UHFFFAOYSA-N
SMILES:
C1CCC2C(C1)CNC2.Cl
NSC Number:
25607
Properties
Complexity:
88.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.097g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
161.673g/mol
Monoisotopic Mass:
161.097g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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