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1810-86-2 | 7(1H)-Quinolinone, octahydro-, trans- (9CI)
CAS No: 1810-86-2 Catalog No: AG0022JG MDL No:
Product Description
Catalog Number:
AG0022JG
Chemical Name:
7(1H)-Quinolinone, octahydro-, trans- (9CI)
CAS Number:
1810-86-2
Molecular Formula:
C9H15NO
Molecular Weight:
153.2215
IUPAC Name:
(4aR,8aR)-2,3,4,4a,5,6,8,8a-octahydro-1H-quinolin-7-one
InChI:
InChI=1S/C9H15NO/c11-8-4-3-7-2-1-5-10-9(7)6-8/h7,9-10H,1-6H2/t7-,9-/m1/s1
InChI Key:
LGGHILDVIWBNJZ-VXNVDRBHSA-N
SMILES:
O=C1CC[C@@H]2[C@@H](C1)NCCC2
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
153.115g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
153.225g/mol
Monoisotopic Mass:
153.115g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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