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1595646-67-5 | 5-ethyl-3-methyl-1,2-dihydroisoquinolin-1-one
CAS No: 1595646-67-5 Catalog No: AG01BJ4M MDL No:MFCD30751826
Product Description
Catalog Number:
AG01BJ4M
Chemical Name:
5-ethyl-3-methyl-1,2-dihydroisoquinolin-1-one
CAS Number:
1595646-67-5
Molecular Formula:
C12H13NO
Molecular Weight:
187.2377
MDL Number:
MFCD30751826
IUPAC Name:
5-ethyl-3-methyl-2H-isoquinolin-1-one
InChI:
InChI=1S/C12H13NO/c1-3-9-5-4-6-10-11(9)7-8(2)13-12(10)14/h4-7H,3H2,1-2H3,(H,13,14)
InChI Key:
PPMWWBRJCMJLBH-UHFFFAOYSA-N
SMILES:
CCc1cccc2c1cc(C)[nH]c2=O
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.1g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.242g/mol
Monoisotopic Mass:
187.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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