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1555038-30-6 | 5-ETHYL-1,2-DIHYDROISOQUINOLIN-1-ONE
CAS No: 1555038-30-6 Catalog No: AG01BJ4L MDL No:MFCD24257922
Product Description
Catalog Number:
AG01BJ4L
Chemical Name:
5-ETHYL-1,2-DIHYDROISOQUINOLIN-1-ONE
CAS Number:
1555038-30-6
Molecular Formula:
C11H11NO
Molecular Weight:
173.2111
MDL Number:
MFCD24257922
IUPAC Name:
5-ethyl-2H-isoquinolin-1-one
InChI:
InChI=1S/C11H11NO/c1-2-8-4-3-5-10-9(8)6-7-12-11(10)13/h3-7H,2H2,1H3,(H,12,13)
InChI Key:
BFGDGVDAPITUSO-UHFFFAOYSA-N
SMILES:
CCc1cccc2c1cc[nH]c2=O
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
173.215g/mol
Monoisotopic Mass:
173.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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