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1368406-57-8 | 6-ETHOXY-1,2,3,4-TETRAHYDROISOQUINOLIN-1-ONE
CAS No: 1368406-57-8 Catalog No: AG01C0OR MDL No:MFCD21879590
Product Description
Catalog Number:
AG01C0OR
Chemical Name:
6-ETHOXY-1,2,3,4-TETRAHYDROISOQUINOLIN-1-ONE
CAS Number:
1368406-57-8
Molecular Formula:
C11H13NO2
Molecular Weight:
191.2264
MDL Number:
MFCD21879590
IUPAC Name:
6-ethoxy-3,4-dihydro-2H-isoquinolin-1-one
InChI:
InChI=1S/C11H13NO2/c1-2-14-9-3-4-10-8(7-9)5-6-12-11(10)13/h3-4,7H,2,5-6H2,1H3,(H,12,13)
InChI Key:
JDVDUTZYWBDDLO-UHFFFAOYSA-N
SMILES:
CCOc1ccc2c(c1)CCNC2=O
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.23g/mol
Monoisotopic Mass:
191.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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