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Home > Quinoline > 1820736-06-8
1820736-06-8 | 3,3,6-trimethyl-1,2,3,4-tetrahydroisoquinolin-1-one
CAS No: 1820736-06-8 Catalog No: AG01AMWA MDL No:MFCD29034047
Product Description
Catalog Number:
AG01AMWA
Chemical Name:
3,3,6-trimethyl-1,2,3,4-tetrahydroisoquinolin-1-one
CAS Number:
1820736-06-8
Molecular Formula:
C12H15NO
Molecular Weight:
189.2536
MDL Number:
MFCD29034047
IUPAC Name:
3,3,6-trimethyl-2,4-dihydroisoquinolin-1-one
InChI:
InChI=1S/C12H15NO/c1-8-4-5-10-9(6-8)7-12(2,3)13-11(10)14/h4-6H,7H2,1-3H3,(H,13,14)
InChI Key:
STJRMNJMCGHQFR-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)CC(NC2=O)(C)C
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.115g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.258g/mol
Monoisotopic Mass:
189.115g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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