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16041-56-8 | (2R*,4AR*,8AR*)-2-METHYLOCTAHYDRO-4(1H)-QUINOLINONE
CAS No: 16041-56-8 Catalog No: AG00AD20 MDL No:MFCD10686638
Product Description
Catalog Number:
AG00AD20
Chemical Name:
(2R*,4AR*,8AR*)-2-METHYLOCTAHYDRO-4(1H)-QUINOLINONE
CAS Number:
16041-56-8
Molecular Formula:
C10H17NO
Molecular Weight:
167.2481
MDL Number:
MFCD10686638
IUPAC Name:
(2R,4aR,8aR)-2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one
InChI:
InChI=1S/C10H17NO/c1-7-6-10(12)8-4-2-3-5-9(8)11-7/h7-9,11H,2-6H2,1H3/t7-,8-,9-/m1/s1
InChI Key:
SEAPKWHFVCCJBB-IWSPIJDZSA-N
SMILES:
C[C@H]1N[C@@H]2CCCC[C@H]2C(=O)C1
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
167.131g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
167.252g/mol
Monoisotopic Mass:
167.131g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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