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58596-29-5 | 2-methyl-8-(propan-2-yl)-1,4,5,6,7,8-hexahydroquinolin-4-one
CAS No: 58596-29-5 Catalog No: AG01C56X MDL No:MFCD24579149
Product Description
Catalog Number:
AG01C56X
Chemical Name:
2-methyl-8-(propan-2-yl)-1,4,5,6,7,8-hexahydroquinolin-4-one
CAS Number:
58596-29-5
Molecular Formula:
C13H19NO
Molecular Weight:
205.2961
MDL Number:
MFCD24579149
IUPAC Name:
2-methyl-8-propan-2-yl-5,6,7,8-tetrahydro-1H-quinolin-4-one
InChI:
InChI=1S/C13H19NO/c1-8(2)10-5-4-6-11-12(15)7-9(3)14-13(10)11/h7-8,10H,4-6H2,1-3H3,(H,14,15)
InChI Key:
IFDHZPHUFBKXCK-UHFFFAOYSA-N
SMILES:
CC(C1CCCc2c1[nH]c(C)cc2=O)C
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.147g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.301g/mol
Monoisotopic Mass:
205.147g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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