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1601069-28-6 | 7-ethyl-3-methyl-1,2-dihydroisoquinolin-1-one
CAS No: 1601069-28-6 Catalog No: AG01BJ4K MDL No:MFCD30751824
Product Description
Catalog Number:
AG01BJ4K
Chemical Name:
7-ethyl-3-methyl-1,2-dihydroisoquinolin-1-one
CAS Number:
1601069-28-6
Molecular Formula:
C12H13NO
Molecular Weight:
187.2377
MDL Number:
MFCD30751824
IUPAC Name:
7-ethyl-3-methyl-2H-isoquinolin-1-one
InChI:
InChI=1S/C12H13NO/c1-3-9-4-5-10-6-8(2)13-12(14)11(10)7-9/h4-7H,3H2,1-2H3,(H,13,14)
InChI Key:
LRKFFVGORYFGFD-UHFFFAOYSA-N
SMILES:
CCc1ccc2c(c1)c(=O)[nH]c(c2)C
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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