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90942-66-8 | Octahydro-quinolin-4-one hydrochloride
CAS No: 90942-66-8 Catalog No: AG01F2HX MDL No:
Product Description
Catalog Number:
AG01F2HX
Chemical Name:
Octahydro-quinolin-4-one hydrochloride
CAS Number:
90942-66-8
Molecular Formula:
C9H16ClNO
Molecular Weight:
189.6824
IUPAC Name:
2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one;hydrochloride
InChI:
InChI=1S/C9H15NO.ClH/c11-9-5-6-10-8-4-2-1-3-7(8)9;/h7-8,10H,1-6H2;1H
InChI Key:
XJAXDVLLICURRL-UHFFFAOYSA-N
SMILES:
O=C1CCNC2C1CCCC2.Cl
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.092g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
189.683g/mol
Monoisotopic Mass:
189.092g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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